SEQ2FUN

BioLiP

PDB CCD ID: BLV
Number of entries in BioLiP: 5
Chemical formula: C33 H34 N4 O6
InChI: InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-
InChIKey: ISQGGWQAVOHBFX-BGSBWKAWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
CACTVS 3.341CC1=C(CCC(O)=O)C(=O)N\C1=C/c2[nH]c(\C=C3/N/C(=C\C4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
Name:BILIVERDIN IX GAMMA CHROMOPHORE
DrugBank: DB02864
ZINC: ZINC000014880505
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).