BioLiP

PDB

BioLiP

PDB CCD ID:

70G

Number of entries in BioLiP:

Chemical formula:

C14 H18 O2

InChI:

InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1

InChIKey:

IAGVZFLDKNPTAP-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc2CCC[CH](CCC(O)=O)c12
OpenEye OEToolkits 2.0.5	Cc1cccc2c1[C@H](CCC2)CCC(=O)O
CACTVS 3.385	Cc1cccc2CCC[C@H](CCC(O)=O)c12
ACDLabs 12.01	C(C(O)=O)CC2c1c(C)cccc1CCC2
OpenEye OEToolkits 2.0.5	Cc1cccc2c1C(CCC2)CCC(=O)O

Name:

3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid

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).