BioLiP

PDB

BioLiP

PDB CCD ID:

XJ2

Number of entries in BioLiP:

Chemical formula:

C14 H22 N2 O

InChI:

InChI=1S/C14H22N2O/c1-15-9-14(17)11-16-8-4-7-12-5-2-3-6-13(12)10-16/h2-3,5-6,14-15,17H,4,7-11H2,1H3/t14-/m1/s1

InChIKey:

YEILCWAUDAOYQR-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CNC[C@H](CN1CCCc2ccccc2C1)O
CACTVS 3.385	CNC[C@@H](O)CN1CCCc2ccccc2C1
OpenEye OEToolkits 2.0.6	CNCC(CN1CCCc2ccccc2C1)O
CACTVS 3.385	CNC[CH](O)CN1CCCc2ccccc2C1

Name:

(2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol

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).