SEQ2FUN

BioLiP

PDB CCD ID: M8R
Number of entries in BioLiP: 1
Chemical formula: C22 H19 N3 O5
InChI: InChI=1S/C22H19N3O5/c26-20-9-10-23-19(25-20)11-18(21(27)28)24-22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1
InChIKey: SRYLOGZQEQKDOT-SFHVURJKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CC4=NC(=O)CC=N4)C(=O)O
CACTVS 3.385OC(=O)[C@H](CC1=NC(=O)CC=N1)NC(=O)OCC2c3ccccc3c4ccccc24
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC4=NC(=O)CC=N4)C(=O)O
CACTVS 3.385OC(=O)[CH](CC1=NC(=O)CC=N1)NC(=O)OCC2c3ccccc3c4ccccc24
Name:(2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic 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).