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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00245971

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
45B4-{[2-({4-[2-(4-acetylpiperazin-
1-yl)-2-oxoethyl]phenyl}amino)-
5-fluoropyrimidin-4-yl]amino}-N-
(2-chlorophenyl)benzamide		A,B,C3H0Z0.7
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.73
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWK0.72
7MP7-AMINO-1-METHYL-3-(2-METHYL-5-
{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-
2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-
1-IUM		A,B2HIW0.74
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.8
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.72
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.72
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.84
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.73
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE		A1T9Y0.75
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.74
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.73
2222-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-
(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-
3-YL]AMINO}PROPYL)-1H-ISOINDOLE-
1,3(2H)-DIONE		A2I0H0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.76
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.78
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE		A1OWE0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.72
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE		A1OWD0.72
LFNLUMIFLAVINA2CCC0.73
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.72
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE		A,C,D2BPM0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.74
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.73
MEFN-({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		A3BGX0.73
CRIA,B1VKG0.72
FONFOLINIC ACIDA,B1QD10.74
FONFOLINIC ACIDA,B2BLN0.74
FONFOLINIC ACIDA,B,C,D1VRQ0.74
FONFOLINIC ACIDA,B1KL20.74
FONFOLINIC ACIDA,B1XZQ0.74
TGF2-[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,D1LS30.72
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.83
KU84-[3-(1,4-diazepan-1-ylcarbonyl)-
4-fluorobenzyl]phthalazin-1(2H)-
one		A3C490.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.7
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.71
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.79
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.7
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.78
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A,B3G0F0.71
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide		A3G0E0.71
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.77
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.75
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.88
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.74
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.71
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.72
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.75
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.84
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.7
JIN6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-
3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-
D]PYRIMIDIN-7(8H)-ONE		A,B2HZI0.7
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE		A1OWH0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B,C,D,E1SEJ0.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B,C,D1F280.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.74
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.72
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.73
1A25-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-
1-YLCARBONYL)PICOLINONITRILE		A,B3E6T0.78
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.72
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide		A3FKT0.77
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.77
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.76
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide		A2QZL0.72
UI16-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-
2-YLAMINO)-2-NAPHTHAMIDE		A1SQA0.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.7
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.75
DHFDIHYDROFOLIC ACIDA1LCB0.75
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.75
DHFDIHYDROFOLIC ACIDA2RK10.75
DHFDIHYDROFOLIC ACIDA1RF70.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.75
DHFDIHYDROFOLIC ACIDA1TYS0.75