BioLiP

PDB

BioLiP

PDB CCD ID:

OR9

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O2

InChI:

InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1

InChIKey:

VMWNQDUVQKEIOC-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CACTVS 3.385	CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34
OpenEye OEToolkits 2.0.7	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
CACTVS 3.385	CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
ACDLabs 12.01	C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O

Name:

(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

ChEMBL:

CHEMBL53

DrugBank:

DB00714

ZINC:

ZINC000000009073

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).