Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0GRJ2
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| Ligand Name |
5-[2,3-Dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-YL}-1-methyl-1H-pyrazol-3-YL)-phenoxymethyl]-furan-2-carboxylic acid
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| Synonyms |
SP-4206; SP4206; 5-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid; 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID; CHEBI:47417; 515846-21-6 (free base); N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide; CHEMBL429852; 1py2; GTPL9037; SCHEMBL10068448; compound 13 [PMID:12656598]; DB02581; CID 5288251; 515846-21-6; HY-119424; CS-0068171; Q27088843
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| Structure |
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Download2D MOL |
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| Formula |
C30H37Cl2N7O6
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| Canonical SMILES |
CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=C(O4)C(=O)O)Cl)Cl)N=C(N)N
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| InChI |
1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1
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| InChIKey |
VNZHOIDQBPFEJU-OAQYLSRUSA-N
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| PubChem Compound ID | ||||
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