BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C22 H18 O3

InChI:

InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1

InChIKey:

GSKJTEFMUWIEJJ-BVSLBCMMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O
CACTVS 3.341	O[CH]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[CH](O)[CH]1O
CACTVS 3.341	O[C@H]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c3ccccc3c4c2ccc5c4CC(C(C5O)O)O
ACDLabs 10.04	OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O

Name:

BENZO[G]CHRYSENE

ZINC:

ZINC000058639136

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).