BioLiP

PDB

BioLiP

PDB CCD ID:

VIP

Number of entries in BioLiP:

Chemical formula:

C9 H13 N O2

InChI:

InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1

InChIKey:

NDGQNHQZSMXHET-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(CO)(c1cccc(c1)O)N
CACTVS 3.385	C[C](N)(CO)c1cccc(O)c1
CACTVS 3.385	C[C@@](N)(CO)c1cccc(O)c1
OpenEye OEToolkits 2.0.7	C[C@@](CO)(c1cccc(c1)O)N
ACDLabs 12.01	NC(C)(CO)c1cc(O)ccc1

Name:

3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol

ZINC:

ZINC000038124574

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).