BioLiP

PDB

BioLiP

PDB CCD ID:

RBP

Number of entries in BioLiP:

Chemical formula:

C22 H22 Br N O

InChI:

InChI=1S/C22H22BrNO/c23-20-9-7-18(8-10-20)21-11-12-24-14-22(21)25-15-16-5-6-17-3-1-2-4-19(17)13-16/h1-10,13,21-22,24H,11-12,14-15H2/t21-,22+/m1/s1

InChIKey:

UHWXWBPDHHMNSG-YADHBBJMSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Brc1ccc(cc1)[CH]2CCNC[CH]2OCc3ccc4ccccc4c3
ACDLabs 10.04	Brc1ccc(cc1)C4CCNCC4OCc3cc2ccccc2cc3
CACTVS 3.341	Brc1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)COC3CNCCC3c4ccc(cc4)Br
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br

Name:

(3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHTHYLMETHOXY)PIPERIDINE;
TRANS-(3R,4R)-2-NAPHTYL-METHOXY-4-(4-BROMOPHENYL)-PIPERIDINE

ChEMBL:

CHEMBL1235625

ZINC:

ZINC000058638557

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).