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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01431427

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.8
D16TOMUDEXA,B1I000.73
D16TOMUDEXA,B2KCE0.73
D16TOMUDEXA,B,C,D2TSR0.73
D16TOMUDEXA,B,C,D1HVY0.73
D16TOMUDEXA,B1RTS0.73
FONFOLINIC ACIDA,B1QD10.7
FONFOLINIC ACIDA,B2BLN0.7
FONFOLINIC ACIDA,B,C,D1VRQ0.7
FONFOLINIC ACIDA,B1KL20.7
FONFOLINIC ACIDA,B1XZQ0.7
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.74
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
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.74
U89N-[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,B1GAR0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.77
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.7
CRIA,B1VKG0.7
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.84
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.71
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.71
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE		A1TKZ0.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.82
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.71
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.82
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.81
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.74
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.84
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.7
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.77
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.74
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.83
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.81
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.76
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.74
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.73
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.73
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.78
XLC3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-
2-THIOPHENECARBOXAMIDE		A,L1MQ50.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.7
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline		A,B3CJ20.73
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.71
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.78