SEQ2FUN

BioLiP

PDB CCD ID: LAN
Number of entries in BioLiP: 8
Chemical formula: C30 H50 O
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey: CAHGCLMLTWQZNJ-BQNIITSRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
CACTVS 3.341C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3
OpenEye OEToolkits 1.5.0C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
CACTVS 3.341C[CH](CCC=C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3
ACDLabs 10.04OC4C(C3CCC1=C(CCC2(C(C(C)CC\C=C(/C)C)CCC12C)C)C3(C)CC4)(C)C
Name:LANOSTEROL
ChEMBL: CHEMBL225111
DrugBank: DB03696
ZINC: ZINC000003870056
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).