Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80975 | Target Info | |||
| Target Name | Vascular endothelial growth factor receptor 2 (KDR) | ||||
| Synonyms | VEGFR2; VEGFR-2; VEGF-2 receptor; Protein-tyrosine kinase receptor flk-1; Kinase insert domain receptor; Fetal liver kinase 1; FLK1; FLK-1; CD309 | ||||
| Target Type | Successful Target | ||||
| Gene Name | KDR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1YWN Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | ||||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [1] |
| PDB Sequence |
LPYDASKWEF
827 PRDRLKLGKP837 LGRGAFGQVI847 EADAFGIDKT857 ATCRTVAVKM867 LTHSEHRALM 881 SELKILIHIG891 HHLNVVNLLG901 ACTKPGGPLM911 VIVEFCKFGN921 LSTYLRSKRN 931 EFVPFLTLEH1002 LICYSFQVAK1012 GMEFLASRKC1022 IHRDLAARNI1032 LLSEKNVVKI 1042 CDIKDPDVRK1060 GDARLPLKWM1070 APETIFDRVY1080 TIQSDVWSFG1090 VLLWEIFSLG 1100 ASPYPGVKID1110 EEFCRRLKEG1120 TRMRAPDYTT1130 PEMYQTMLDC1140 WHGEPSQRPT 1150 FSELVEHLGN1160 LLQANAQQD
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| PDB ID: 2OH4 Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [2] |
| PDB Sequence |
HCERLPYDAS
823 KWEFPRDRLN833 LGKPLGRGAF843 GQVIEADAFG853 IDKTATCRTV863 AVKMLKEGAT 873 HSEHRALMSE883 LKILIHIGHH893 LNVVNLLGAC903 TKPGGPLMVI913 VEFCKFGNLS 923 TYLRSKRNEF933 VPYYKDFLTL1000 EHLICYSFQV1010 AKGMEFLASR1020 KCIHRDLAAR 1030 NILLSEKNVV1040 KICDFGLARD1050 IKDPDVRKGD1062 ARLPLKWMAP1072 ETIFDRVYTI 1082 QSDVWSFGVL1092 LWEIFSLGAS1102 PYPGVKIDEE1112 FCRRLKEGTR1122 MRAPDYTTPE 1132 MYQTMLDCWH1142 GEPSQRPTFS1152 ELVEHLGNLL1162 QANAQQD
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| PDB ID: 3C7Q Structure of VEGFR2 kinase domain in complex with BIBF1120 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| PDB Sequence |
RLPYDASKWE
828 FPRDRLKLGK838 PLGRGAFGQV848 IEADAFGIDK858 TATRTVAVKM869 LKEGATHSEH 879 RALMSELKIL889 IHIGHHLNVV899 NLLGACTKPG909 GPLMVIVEFC919 KFGNLSTYLR 929 SKRNEFVPYK939 DFLTLEHLIY1008 SFQVAKGMEF1018 LASRKIHRDL1029 AARNILLSEK 1039 NVVKICDFDI1053 KDPDVRKGDA1065 RLPLKWMAPE1075 TIFDRVYTIQ1085 SDVWSFGVLL 1095 WEIFSLGASP1105 YPGVKIDEEF1115 CRRLKEGTRM1125 RAPDYTTPEM1135 YQTMLDCWHG 1145 EPSQRPTFSE1155 LVEHLGNLLQ1165 ANAQQD
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors. Bioorg Med Chem Lett. 2005 May 2;15(9):2203-7. | ||||
| REF 2 | Discovery of novel benzimidazoles as potent inhibitors of TIE-2 and VEGFR-2 tyrosine kinase receptors. J Med Chem. 2007 Sep 6;50(18):4453-70. | ||||
| REF 3 | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. | ||||
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