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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331578

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.7
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.73
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.86
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.72
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,B1GAR0.77
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.81
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,E1SEJ0.81
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,D1F280.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.81
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.72
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.79
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.79
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.79
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid		A,B3DDW0.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.78
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.87
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.74
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
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.8
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.72
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.76
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE		A1T9Y0.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.81
D16TOMUDEXA,B1I000.78
D16TOMUDEXA,B2KCE0.78
D16TOMUDEXA,B,C,D2TSR0.78
D16TOMUDEXA,B,C,D1HVY0.78
D16TOMUDEXA,B1RTS0.78
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.81
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.81
FONFOLINIC ACIDA,B1QD10.84
FONFOLINIC ACIDA,B2BLN0.84
FONFOLINIC ACIDA,B,C,D1VRQ0.84
FONFOLINIC ACIDA,B1KL20.84
FONFOLINIC ACIDA,B1XZQ0.84
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.82
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.82
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.82
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.74
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A,B3CDM0.71
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A3CCO0.71
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.71
CHYCHYMOSTATINA,B1M210.7
CHYCHYMOSTATINA,B1WVM0.7
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.72
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.73
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.93
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.72
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.71
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,D1LS30.83
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.72
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.71
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.9
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.9
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.73
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.73
DZF5-DEAZAFOLIC ACIDA,B2DHF0.77
DZF5-DEAZAFOLIC ACIDA,B1DYH0.77
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.77
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.7
GASB,H1ETZ0.71
GASH2CGR0.71
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.76
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.7
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.71
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.75
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		A3BGX0.83
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.86
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.86
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.72
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.86
FOLFOLIC ACIDA1PJ60.74
FOLFOLIC ACIDA,B1RD70.74
FOLFOLIC ACIDA,B1DHF0.74
FOLFOLIC ACIDA,B,C,D,E1QZF0.74
FOLFOLIC ACIDA4CD20.74
FOLFOLIC ACIDA1RX70.74
FOLFOLIC ACIDA1RX20.74
FOLFOLIC ACIDA1RX80.74
FOLFOLIC ACIDA1RA20.74
FOLFOLIC ACIDA,B1RE70.74
FOLFOLIC ACIDA7DFR0.74
FOLFOLIC ACIDA1VIF0.74
FOLFOLIC ACIDA,B1RB20.74
FOLFOLIC ACIDA1CD20.74
FOLFOLIC ACIDA2CD20.74
FOLFOLIC ACIDA,B1DYI0.74
FOLFOLIC ACIDA1DRF0.74
FOLFOLIC ACIDA,B,C,D3BMC0.74
FOLFOLIC ACIDA,B2D0K0.74
FOLFOLIC ACIDA1RA80.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.87
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.81
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.81
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.81
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.85
DHFDIHYDROFOLIC ACIDA1LCB0.85
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.85
DHFDIHYDROFOLIC ACIDA2RK10.85
DHFDIHYDROFOLIC ACIDA1RF70.85
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.85
DHFDIHYDROFOLIC ACIDA1TYS0.85
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.79
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.79
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.79