BioLiP

PDB

BioLiP

PDB CCD ID:

MWO

Number of entries in BioLiP:

Chemical formula:

C15 H26 N4 O3

InChI:

InChI=1S/C15H26N4O3/c20-15(21)11-19-7-5-18(6-8-19)10-13-9-14(17-22-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)/t13-/m0/s1

InChIKey:

MFCBVLDAOOBZRT-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CNCCC1C2=NO[C@@H](C2)CN3CCN(CC3)CC(=O)O
ACDLabs 12.01	O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1
CACTVS 3.385	OC(=O)CN1CCN(CC1)C[C@@H]2CC(=NO2)C3CCNCC3
OpenEye OEToolkits 2.0.7	C1CNCCC1C2=NOC(C2)CN3CCN(CC3)CC(=O)O
CACTVS 3.385	OC(=O)CN1CCN(CC1)C[CH]2CC(=NO2)C3CCNCC3

Name:

(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic 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).