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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00927736

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.73
D16TOMUDEXA,B1I000.73
D16TOMUDEXA,B2KCE0.73
D16TOMUDEXA,B,C,D2TSR0.73
D16TOMUDEXA,B,C,D1HVY0.73
D16TOMUDEXA,B1RTS0.73
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.73
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.7
FONFOLINIC ACIDA,B1QD10.72
FONFOLINIC ACIDA,B2BLN0.72
FONFOLINIC ACIDA,B,C,D1VRQ0.72
FONFOLINIC ACIDA,B1KL20.72
FONFOLINIC ACIDA,B1XZQ0.72
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
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.78
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.75
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.76
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.79
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.75
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.73
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.74
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.7
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
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
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TSD0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1SYN0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B2VF00.75
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,E1SEJ0.75
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,D1F280.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TLC0.75