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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00269427

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.71
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
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM		J,K,L1F3D0.73
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.77
TFI2-[5-METHANESULFONYLAMINO-2-(4-
AMINOPHENYL)-6-OXO-1,6-DIHYDRO-
1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-
1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE		A1EAT0.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE		A2HVC0.7
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.76
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE		A,C,D2BPM0.7
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.75
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.7
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.78
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.73
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline		A,B3CJ20.76
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.73
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.79
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.74
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE		A1OWD0.72
LFNLUMIFLAVINA2CCC0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.7
FONFOLINIC ACIDA,B1QD10.73
FONFOLINIC ACIDA,B2BLN0.73
FONFOLINIC ACIDA,B,C,D1VRQ0.73
FONFOLINIC ACIDA,B1KL20.73
FONFOLINIC ACIDA,B1XZQ0.73
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
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide		A3FKT0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.71
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
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.8
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.73
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.73
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.85
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.84
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.72
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.79
1A25-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-
1-YLCARBONYL)PICOLINONITRILE		A,B3E6T0.74
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.73
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.75
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.85
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWK0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.76
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.71
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		A3BGX0.71
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.74
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.7
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.72
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.72
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.75
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.7
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.78
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE		A1OWH0.73
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.74
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.83
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,B1NM60.7
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.73
DHFDIHYDROFOLIC ACIDA1LCB0.73
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.73
DHFDIHYDROFOLIC ACIDA2RK10.73
DHFDIHYDROFOLIC ACIDA1RF70.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.73
DHFDIHYDROFOLIC ACIDA1TYS0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.71