BioLiP

PDB

BioLiP

PDB CCD ID:

XD5

Number of entries in BioLiP:

Chemical formula:

C14 H17 N O2

InChI:

InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1

InChIKey:

GVFBCMCEUNYYSX-NDMJEZRESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N
CACTVS 3.385	Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)OC2CC3CCC2C3)N
CACTVS 3.385	Nc1ccc(cc1)C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3

Name:

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate

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).