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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049362

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1LPTRANYLCYPROMINEA,B1OJB0.76
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.81
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.81
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.81
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.81
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.81
ANQACENAPHTHENEQUINONEH,J1OAX0.79
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.71
HBXbenzaldehydeA,B3GDN0.8
BHOBENZHYDROXAMIC ACIDA,B1GX20.7
BHOBENZHYDROXAMIC ACIDA1HSR0.7
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.7
BHOBENZHYDROXAMIC ACIDA3GCK0.7
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.81
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.84
MQ9MENAQUINONE-9C,H,L,M3D380.81
MQ9MENAQUINONE-9C,H,L,M1VRN0.81
MQ9MENAQUINONE-9C,H,L,M2I5N0.81
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.81
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.78
MQ7MENAQUINONE-7C,H,L,M1PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.81
MQ7MENAQUINONE-7C,H,L,M5PRC0.81
MQ7MENAQUINONE-7C,H,L,M7PRC0.81
MQ7MENAQUINONE-7C,H,L,M2PRC0.81
MQ7MENAQUINONE-7C,H,L,M1R2C0.81
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.81
MQ7MENAQUINONE-7C,H,L,M3PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.81
MQ7MENAQUINONE-7C,H,L,M2JBL0.81
MQ7MENAQUINONE-7C,H,L,M6PRC0.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.8
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.81
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
VK3MENADIONEA1TUV0.84
VK3MENADIONEA,B2QR20.84
173BENZOYL-FORMIC ACIDA,B1SZE0.76
AC01-PHENYLETHANONEA1ZK10.9
AC01-PHENYLETHANONEA1ZK40.9
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
BZQDIPHENYLMETHANONEA,B1GT50.86
BZQDIPHENYLMETHANONEA,B1DZP0.86
3PL3-PHENYLPROPANALE1Y3G0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.81
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71