BioLiP

PDB

BioLiP

PDB CCD ID:

C5A

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O4

InChI:

InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1

InChIKey:

YFYNOWXBIBKGHB-FFWSUHOLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C1CC(CC1C(=O)O)(C(=O)O)N
CACTVS 3.341	N[C]1(CC[CH](C1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
ACDLabs 10.04	O=C(O)C1(N)CC(C(=O)O)CC1

Name:

(1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid;
1S,3S-ACPD

ChEMBL:

CHEMBL29726

ZINC:

ZINC000001641373

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).