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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013634

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
173BENZOYL-FORMIC ACIDA,B1SZE0.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
AC01-PHENYLETHANONEA1ZK10.91
AC01-PHENYLETHANONEA1ZK40.91
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.82
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.82
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.82
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.82
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
1QZV0.82
VK3MENADIONEA1TUV0.87
VK3MENADIONEA,B2QR20.87
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
HBXbenzaldehydeA,B3GDN0.81
ANQACENAPHTHENEQUINONEH,J1OAX0.78
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.82
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.87
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.77
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.72
1LPTRANYLCYPROMINEA,B1OJB0.77
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.74
BZQDIPHENYLMETHANONEA,B1GT50.85
BZQDIPHENYLMETHANONEA,B1DZP0.85
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.82
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.82
MQ7MENAQUINONE-7C,H,L,M5PRC0.82
MQ7MENAQUINONE-7C,H,L,M7PRC0.82
MQ7MENAQUINONE-7C,H,L,M2PRC0.82
MQ7MENAQUINONE-7C,H,L,M1R2C0.82
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.82
MQ7MENAQUINONE-7C,H,L,M3PRC0.82
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.82
MQ7MENAQUINONE-7C,H,L,M2JBL0.82
MQ7MENAQUINONE-7C,H,L,M6PRC0.82
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.82
3PL3-PHENYLPROPANALE1Y3G0.75
MQ9MENAQUINONE-9C,H,L,M3D380.82
MQ9MENAQUINONE-9C,H,L,M1VRN0.82
MQ9MENAQUINONE-9C,H,L,M2I5N0.82
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.82
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.81