BioLiP

PDB

BioLiP

PDB CCD ID:

MT8

Number of entries in BioLiP:

Chemical formula:

C13 H15 N O2

InChI:

InChI=1S/C13H15NO2/c1-13(16)7-8-14-11(15)6-5-9-3-2-4-10(13)12(9)14/h2-4,16H,5-8H2,1H3/t13-/m1/s1

InChIKey:

FHMNDLFMEHZYLO-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@]1(CCN2c3c1cccc3CCC2=O)O
CACTVS 3.370	C[C@@]1(O)CCN2C(=O)CCc3cccc1c23
ACDLabs 12.01	O=C3N2c1c(cccc1C(O)(CC2)C)CC3
CACTVS 3.370	C[C]1(O)CCN2C(=O)CCc3cccc1c23
OpenEye OEToolkits 1.7.6	CC1(CCN2c3c1cccc3CCC2=O)O

Name:

(1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

ZINC:

ZINC000004975480

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).