Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BNV85L
|
|||
| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
|
|||
| Synonyms |
CHEMBL2336580
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C59H88N16O16
|
|||
| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CO)N
|
|||
| InChI |
1S/C59H88N16O16/c1-29(2)22-41(71-53(85)43(70-50(82)38(60)27-76)24-35-25-64-39-13-9-8-12-37(35)39)51(83)67-32(6)48(80)68-33(7)57(89)75-21-11-15-45(75)55(87)65-26-46(79)66-31(5)49(81)74-47(30(3)4)56(88)73-44(28-77)54(86)72-42(23-34-16-18-36(78)19-17-34)52(84)69-40(58(90)91)14-10-20-63-59(61)62/h8-9,12-13,16-19,25,29-33,38,40-45,47,64,76-78H,10-11,14-15,20-24,26-28,60H2,1-7H3,(H,65,87)(H,66,79)(H,67,83)(H,68,80)(H,69,84)(H,70,82)(H,71,85)(H,72,86)(H,73,88)(H,74,81)(H,90,91)(H4,61,62,63)/t31-,32-,33-,38-,40-,41-,42-,43-,44-,45-,47-/m0/s1
|
|||
| InChIKey |
XTJCFCBLCSDGMU-MHCUYKHJSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.