Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B16XZT
|
|||
| Binder Name |
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-Aminoacetyl)amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
|
|||
| Synonyms |
CHEMBL4067904
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C65H108N26O28
|
|||
| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)O
|
|||
| InChI |
1S/C65H108N26O28/c1-29(2)18-38(61(117)91-17-7-11-40(91)59(115)88-34(12-13-47(100)101)55(111)90-51(30(3)93)60(116)80-23-42(95)76-24-43(96)85-39(28-92)62(118)119)89-58(114)37(21-50(106)107)84-46(99)27-79-54(110)33(10-6-16-75-65(71)72)87-57(113)36(20-49(104)105)83-45(98)26-78-53(109)32(9-5-15-74-64(69)70)86-56(112)35(19-48(102)103)82-44(97)25-77-52(108)31(81-41(94)22-66)8-4-14-73-63(67)68/h29-40,51,92-93H,4-28,66H2,1-3H3,(H,76,95)(H,77,108)(H,78,109)(H,79,110)(H,80,116)(H,81,94)(H,82,97)(H,83,98)(H,84,99)(H,85,96)(H,86,112)(H,87,113)(H,88,115)(H,89,114)(H,90,111)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,118,119)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,51+/m1/s1
|
|||
| InChIKey |
ICMJQIXGFJMTDS-QIDPRFCVSA-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.