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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02226905

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.72
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.71
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.74
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid
A,B3DDW0.74
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.7
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid
A2ZDU0.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid
A2VKG0.73
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.87
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.87
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.73
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.73
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.86
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine
A,B3DDS0.76
CRIA,B1VKG0.71
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.7
4HFN-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-
HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-
6-YL]ETHYL}-2-THIENYL)CARBONYL]-
L-GLUTAMIC ACID
A,B,C2FMN0.71
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.88
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.72