BioLiP

PDB

BioLiP

PDB CCD ID:

00X

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1

InChIKey:

LOPKSXMQWBYUOI-BDAKNGLRSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH]1[CH](O)Cc2ccccc12
CACTVS 3.370	N[C@@H]1[C@H](O)Cc2ccccc12
ACDLabs 12.01	OC2Cc1ccccc1C2N
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)C[C@H]([C@H]2N)O
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)CC(C2N)O

Name:

(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol

ZINC:

ZINC000000154811

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).