SEQ2FUN

BioLiP

PDB CCD ID: DEU
Number of entries in BioLiP: 0
Chemical formula: C30 H28 Co N4 O4
InChI: InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+7/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;
InChIKey: KHTDHHCCHPGKMR-RWRCOHKGSA-L
SMILES:
SoftwareSMILES
CACTVS 3.370CC1=CC2=CC3=[N+]4C(=Cc5n6c(C=C7C(=CC8=[N+]7[Co+3]46[N]2C1=C8)C)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O
CACTVS 3.370CC1=CC2=CC3=[N@+]4C(=Cc5n6c(C=C7C(=CC8=[N@+]7[Co@@+3]46[N@@]2C1=C8)C)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O
OpenEye OEToolkits 1.7.2Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O
ACDLabs 12.01O=C(O)CCC1=C(c4[n+]3C1=Cc8c(c(c7cc2C(=CC6=[n+]2[Co+3]3(n5c(c4)C=C(C5=C6)C)n78)C)C)CCC(=O)O)C
Name:CO(III)-(DEUTEROPORPHYRIN IX)
DrugBank: DB02173
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).