BioLiP

PDB

BioLiP

PDB CCD ID:

WRD

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O

InChI:

InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1

InChIKey:

JGBIMURCUPHILK-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)O)CCCC2N
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)O)CCC[C@H]2N
ACDLabs 12.01	NC2CCCc1c(cccc12)O
CACTVS 3.385	N[C@@H]1CCCc2c(O)cccc12
CACTVS 3.385	N[CH]1CCCc2c(O)cccc12

Name:

(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

ZINC:

ZINC000034206219

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).