BioLiP

PDB

BioLiP

PDB CCD ID:

BCY

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O2

InChI:

InChI=1S/C9H15N3O2/c1-9(10)3-5-11-4-2-7(6-13)12(11)8(9)14/h6-7H,2-5,10H2,1H3/t7-,9-/m0/s1

InChIKey:

DBXOZYHJFAKQPU-CBAPKCEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=CC2N1C(=O)C(N)(CCN1CC2)C
OpenEye OEToolkits 1.5.0	CC1(CCN2CCC(N2C1=O)C=O)N
CACTVS 3.341	C[C@]1(N)CCN2CC[C@@H](C=O)N2C1=O
OpenEye OEToolkits 1.5.0	C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N
CACTVS 3.341	C[C]1(N)CCN2CC[CH](C=O)N2C1=O

Name:

CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZANONAN-2-ONE

ZINC:

ZINC000033582323

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).