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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02668786

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.76
VK3MENADIONEA1TUV0.8
VK3MENADIONEA,B2QR20.8
3PL3-PHENYLPROPANALE1Y3G0.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.76
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.76
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.76
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.76
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
1QZV0.76
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
BZQDIPHENYLMETHANONEA,B1GT50.87
BZQDIPHENYLMETHANONEA,B1DZP0.87
MQ9MENAQUINONE-9C,H,L,M3D380.76
MQ9MENAQUINONE-9C,H,L,M1VRN0.76
MQ9MENAQUINONE-9C,H,L,M2I5N0.76
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.76
HBXbenzaldehydeA,B3GDN0.75
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.78
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.81
MQ7MENAQUINONE-7C,H,L,M1PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.76
MQ7MENAQUINONE-7C,H,L,M5PRC0.76
MQ7MENAQUINONE-7C,H,L,M7PRC0.76
MQ7MENAQUINONE-7C,H,L,M2PRC0.76
MQ7MENAQUINONE-7C,H,L,M1R2C0.76
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.76
MQ7MENAQUINONE-7C,H,L,M3PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.76
MQ7MENAQUINONE-7C,H,L,M2JBL0.76
MQ7MENAQUINONE-7C,H,L,M6PRC0.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.8
173BENZOYL-FORMIC ACIDA,B1SZE0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
TTF4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-
1,3-DIONE
A,B,C,D1ZP00.71
AC01-PHENYLETHANONEA1ZK10.83
AC01-PHENYLETHANONEA1ZK40.83
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.72
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.78
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.72