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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01812119

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.72
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.77
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.75
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.75
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.75
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,B1GAR0.72
D16TOMUDEXA,B1I000.74
D16TOMUDEXA,B2KCE0.74
D16TOMUDEXA,B,C,D2TSR0.74
D16TOMUDEXA,B,C,D1HVY0.74
D16TOMUDEXA,B1RTS0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.7
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.72
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.72
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.8
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.75
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.71
CRIA,B1VKG0.7
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.78
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.72
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.7
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.74
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.75
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.78
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.78
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.78
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.81
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.79
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.79
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.75
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.75
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.75
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.75
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.75
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,D1LS30.77
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.74
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.74
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.7
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.8
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.78
DHFDIHYDROFOLIC ACIDA1LCB0.78
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.78
DHFDIHYDROFOLIC ACIDA2RK10.78
DHFDIHYDROFOLIC ACIDA1RF70.78
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.78
DHFDIHYDROFOLIC ACIDA1TYS0.78
FONFOLINIC ACIDA,B1QD10.79
FONFOLINIC ACIDA,B2BLN0.79
FONFOLINIC ACIDA,B,C,D1VRQ0.79
FONFOLINIC ACIDA,B1KL20.79
FONFOLINIC ACIDA,B1XZQ0.79
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.72
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		A3BGX0.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.8
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.78
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
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.7
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.86
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.72
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID		H,Y1LO00.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.78
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
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.74
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.78
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.77
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.78
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.81