Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212341
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 |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.75 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.73 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
TC8 | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.72 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.72 | |
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 | 0.7 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.75 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.72 | |
AXB | A | 3DPE | 0.7 | ||
AXB | A,B | 3DPF | 0.7 | ||
2CE | N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)- ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVS | 0.7 | |
LS5 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.7 | |
FRY | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)- 2-OXO-1,2,3,4-TETRAHYDROQUINOLIN- 3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE- 5-CARBOXAMIDE | A,B | 2IEG | 0.77 | |
901 | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.71 | |
UN5 | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.72 | |
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 | |
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 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 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 | 0.71 | |
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 | 0.74 | |
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 | |
KMB | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE | A | 1Q66 | 0.7 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.72 | |
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 | 0.74 | |
ME1 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P93 | 0.71 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.71 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.71 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.7 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.71 | |
I52 | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL- PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)- SULFAMOYL]-4-PENTYL-BENZAMIDE | A | 1HOV | 0.71 | |
MEF | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid | A | 3BGX | 0.71 | |
CRI | A,B | 1VKG | 0.71 | ||
BHB | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.71 | |
ME5 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P95 | 0.7 | |
XLC | 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]- 2-THIOPHENECARBOXAMIDE | A,L | 1MQ5 | 0.72 | |
38M | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.77 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.73 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.73 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.73 | |
B22 | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.71 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.76 | |
F20 | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.71 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.73 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.72 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.71 | |
VG5 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxo-2,3-dihydro-1H-pyrrol- 1-yl)benzamide | A | 2VJ6 | 0.72 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | X | 2IJG | 0.71 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 2J4D | 0.71 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 1DNP | 0.71 |