Molecule Details
InChIKeyHVTMEGQWQQUDIH-DCAYLYCYSA-N
Compound NameH-Gly-Cys(1)-Cys(2)-Ser-His-Pro-Ala-Cys(1)-His-Val-Asn-His-Pro-Glu-Leu-Cys(2)-NH2
Canonical SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.54
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30926 CHRNB4 Homo sapiens Human PF02931 PF02932 8.5 IC50 ChEMBL
P32297 CHRNA3 Homo sapiens Human PF02931 PF02932 8.5 IC50 ChEMBL;BindingDB
Q15825 CHRNA6 Homo sapiens Human PF02931 PF02932 8.5 IC50 ChEMBL