BioLiP

PDB

BioLiP

PDB CCD ID:

GKU

Number of entries in BioLiP:

Chemical formula:

C10 H15 N O

InChI:

InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1

InChIKey:

SBUQZKJEOOQSBV-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[C@H](C)Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7	C[C@H](Cc1ccc(cc1)O)NC
OpenEye OEToolkits 2.0.7	CC(Cc1ccc(cc1)O)NC
CACTVS 3.385	CN[CH](C)Cc1ccc(O)cc1

Name:

4-[(2R)-2-(methylamino)propyl]phenol

ZINC:

ZINC000000394355

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).