BioLiP

PDB

BioLiP

PDB CCD ID:

AUU

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O2

InChI:

InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1

InChIKey:

MPUVBVXDFRDIPT-CHKWXVPMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C]1(C[CH]2CC[CH]1C2)C(O)=O
OpenEye OEToolkits 2.0.6	C1CC2C[C@H]1[C@@](C2)(C(=O)O)N
OpenEye OEToolkits 2.0.6	C1CC2CC1CC2(C(=O)O)N
ACDLabs 12.01	C(C1(C2CCC(C1)C2)N)(=O)O
CACTVS 3.385	N[C@]1(C[C@@H]2CC[C@H]1C2)C(O)=O

Name:

(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

ZINC:

ZINC000008575885

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).