Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03949412
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 |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.7 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.7 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.72 | |
GAS | B,H | 1ETZ | 0.74 | ||
GAS | H | 2CGR | 0.74 | ||
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.77 | |
MKK | 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN- 1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)- 4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL- 3-YL]ETHANONE | A,B | 2Q2Z | 0.7 | |
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.72 | |
CDD | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}- 2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | B,C | 1MUE | 0.7 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.76 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.7 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.75 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.76 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.71 | |
TFI | 2-[5-METHANESULFONYLAMINO-2-(4- AMINOPHENYL)-6-OXO-1,6-DIHYDRO- 1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO- 1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE | A | 1EAT | 0.74 | |
IXS | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)- 1-methyl-2-oxoethyl]amino}ethyl]- N'-[(1R)-1-(4-fluorophenyl)ethyl]- 5-[methyl(methylsulfonyl)amino]isophthalamide | A | 2QZL | 0.71 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.7 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.7 | |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.75 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.73 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.73 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.72 | |
AZQ | AZAPROPAZONE | A | 2BXK | 0.74 | |
AZQ | AZAPROPAZONE | A | 2BXI | 0.74 | |
AZQ | AZAPROPAZONE | A,B | 2BX8 | 0.74 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.71 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.71 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.71 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.71 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.71 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.71 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.71 | |
SL1 | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]- 2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4- BENZODIAZEPIN-1-YL}ACETAMIDE | U | 1W12 | 0.71 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.72 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.74 | |
L86 | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.75 | |
BL5 | A,B | 1RL4 | 0.72 | ||
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.72 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.77 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.77 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.77 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.71 | |
SLD | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]- 2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent- 4-en-1-yl]-3-(4-methyl-2,6-dioxo- 1,6-dihydropyrimidin-5(2H)-ylidene)propanamide | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 3CXC | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.73 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.79 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.72 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.75 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.72 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.72 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.74 | |
UN5 | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.73 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.86 | |
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 | 0.72 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.72 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.71 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.76 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.71 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.72 |