Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00531727
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 |
UC4![]() | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.7 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.79 | ![]() |
RAI![]() | 1-(4-CARBOXY-2-GUANIDINOPENTYL)- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9T | 0.75 | ![]() |
RA2![]() | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.72 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.75 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.78 | ![]() |
EOZ![]() | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.72 | ![]() |
L98![]() | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.75 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.75 | ![]() |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.74 | ![]() |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.74 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.73 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.76 | ![]() |
TGF![]() | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4- OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN- 6-YLMETHYL)-AMINO]-BENZOYLAMINO}- 4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY- BUTYRYLAMINO]-PENTANEDIOIC ACID | A,B,C,D | 1LS3 | 0.7 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.73 | ![]() |
U89![]() | N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO- 6-OXO-4-PYRIMIDINYL)-PROPYL]-[2- ((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)- AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]- 1-GLUTAMIC ACID | A,B | 1GAR | 0.73 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.72 | ![]() |
THG![]() | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.72 | ![]() |
THL![]() | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.71 | ![]() |
THL![]() | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.71 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.72 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.77 | ![]() |
ST5![]() | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.77 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.72 | ![]() |
794![]() | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.71 | ![]() |
EJ5![]() | 4-[3-(2-amino-4-hydroxy-6-oxo-1,6- dihydropyrimidin-5-yl)propyl]benzoic acid | X | 3EJ5 | 0.71 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.75 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.82 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.82 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.82 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.82 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.79 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.72 | ![]() |
FCK![]() | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6- tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid | B | 3FCK | 0.71 | ![]() |
DQB![]() | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.75 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.71 | ![]() |
C2F![]() | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.71 | ![]() |
86A![]() | (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)- HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID | A,B,C | 2PJ3 | 0.7 | ![]() |
901![]() | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.75 | ![]() |
P20![]() | 2-(5-{[AMINO(IMINO)METHYL]AMINO}- 2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG7 | 0.7 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.75 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.75 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.75 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1LCB | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 2RK1 | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1RF7 | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.7 | ![]() |
DHF![]() | DIHYDROFOLIC ACID | A | 1TYS | 0.7 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.7 | ![]() |
TC8![]() | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.71 | ![]() |
394![]() | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.74 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.71 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.82 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.82 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.82 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.74 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.74 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.75 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.75 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.73 | ![]() |
606![]() | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PIZ | 0.72 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.7 | ![]() |
679![]() | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.71 | ![]() |
PFG![]() | 10-PARPARGYL-5,8-DIDEAZAFOLATE- 4-GLUTAMIC ACID | A,B | 2BBQ | 0.7 | ![]() |
588![]() | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.71 | ![]() |
CB3![]() | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.71 | ![]() |
2T1![]() | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.72 | ![]() |
3FL![]() | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.73 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.75 | ![]() |