Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00173500
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.72 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.71 | |
NA9 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.71 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.74 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.73 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | |
CDO | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.7 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.7 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.71 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.75 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.77 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.77 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.77 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.77 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.77 | |
TIT | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.76 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.75 | |
VRS | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.7 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.73 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.73 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.73 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.73 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.7 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.73 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.73 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.73 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.73 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.73 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.73 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
N12 | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.71 | |
MS3 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [VALINYL-AMINOMETHANYL-PYRIDINE] | A | 1EC3 | 0.72 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.73 | |
M2C | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.7 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.75 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.74 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.81 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.81 |