LIH383   Click here for help

GtoPdb Ligand ID: 11084

Comment: LIH383 is a highly selective subnanomolar agonist of ACKR3/CXCR7 [1].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O
InChI InChI=1S/C45H71N15O9S/c1-70-23-19-33(59-42(67)35(25-29-14-6-3-7-15-29)56-37(62)27-54-36(61)26-55-38(63)30(47)24-28-12-4-2-5-13-28)41(66)58-31(17-10-21-52-44(48)49)39(64)57-32(18-11-22-53-45(50)51)40(65)60-34(43(68)69)16-8-9-20-46/h2-7,12-15,30-35H,8-11,16-27,46-47H2,1H3,(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H,60,65)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1
InChI Key SGGIVBFIASEYOE-LBBUGJAGSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 434122145
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