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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02474484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.82
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.86
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
TRZTRAZEOLIDEA1C120.71
173BENZOYL-FORMIC ACIDA,B1SZE0.74
1LPTRANYLCYPROMINEA,B1OJB0.79
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.76
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
BZQDIPHENYLMETHANONEA,B1GT50.87
BZQDIPHENYLMETHANONEA,B1DZP0.87
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.83
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
I4BISOBUTYLBENZENEA184L0.71
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.73
ANQACENAPHTHENEQUINONEH,J1OAX0.77
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.79
VK3MENADIONEA1TUV0.86
VK3MENADIONEA,B2QR20.86
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.83
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
AC01-PHENYLETHANONEA1ZK10.9
AC01-PHENYLETHANONEA1ZK40.9
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
3PL3-PHENYLPROPANALE1Y3G0.75
MQ7MENAQUINONE-7C,H,L,M1PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.83
MQ7MENAQUINONE-7C,H,L,M5PRC0.83
MQ7MENAQUINONE-7C,H,L,M7PRC0.83
MQ7MENAQUINONE-7C,H,L,M2PRC0.83
MQ7MENAQUINONE-7C,H,L,M1R2C0.83
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.83
MQ7MENAQUINONE-7C,H,L,M3PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.83
MQ7MENAQUINONE-7C,H,L,M2JBL0.83
MQ7MENAQUINONE-7C,H,L,M6PRC0.83
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.85
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.85
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.85
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.85
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		1QZV0.85
HBXbenzaldehydeA,B3GDN0.78
MQ9MENAQUINONE-9C,H,L,M3D380.83
MQ9MENAQUINONE-9C,H,L,M1VRN0.83
MQ9MENAQUINONE-9C,H,L,M2I5N0.83
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.83