BioLiP

PDB

BioLiP

PDB CCD ID:

JW9

Number of entries in BioLiP:

Chemical formula:

C20 H21 N O

InChI:

InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1

InChIKey:

QFTKMDZKABQMHI-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O
CACTVS 3.385	C[CH](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
ACDLabs 12.01	Oc1ccc(CN(C)C(C)c2cccc3ccccc32)cc1
CACTVS 3.385	C[C@@H](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
OpenEye OEToolkits 2.0.7	CC(c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O

Name:

4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol

ChEMBL:

CHEMBL5173886

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).