BioLiP

PDB

BioLiP

PDB CCD ID:

YLG

Number of entries in BioLiP:

Chemical formula:

C10 H13 N

InChI:

InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1

InChIKey:

QPILYVQSKNWRDD-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1NCCc2ccccc12
CACTVS 3.385	C[C@H]1NCCc2ccccc12
OpenEye OEToolkits 1.7.6	CC1c2ccccc2CCN1
OpenEye OEToolkits 1.7.6	C[C@@H]1c2ccccc2CCN1

Name:

(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline

ZINC:

ZINC000019624605

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).