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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02997328

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ7MENAQUINONE-7C,H,L,M1PRC0.77
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.77
MQ7MENAQUINONE-7C,H,L,M5PRC0.77
MQ7MENAQUINONE-7C,H,L,M7PRC0.77
MQ7MENAQUINONE-7C,H,L,M2PRC0.77
MQ7MENAQUINONE-7C,H,L,M1R2C0.77
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.77
MQ7MENAQUINONE-7C,H,L,M3PRC0.77
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.77
MQ7MENAQUINONE-7C,H,L,M2JBL0.77
MQ7MENAQUINONE-7C,H,L,M6PRC0.77
ANQACENAPHTHENEQUINONEH,J1OAX0.81
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.76
MQ9MENAQUINONE-9C,H,L,M3D380.77
MQ9MENAQUINONE-9C,H,L,M1VRN0.77
MQ9MENAQUINONE-9C,H,L,M2I5N0.77
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.77
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.78
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
TRZTRAZEOLIDEA1C120.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.77
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.79
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.79
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.79
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.77
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.77
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.77
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.77
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		1QZV0.77
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
173BENZOYL-FORMIC ACIDA,B1SZE0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.77
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
1LPTRANYLCYPROMINEA,B1OJB0.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.7
3PL3-PHENYLPROPANALE1Y3G0.74
HBXbenzaldehydeA,B3GDN0.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
AC01-PHENYLETHANONEA1ZK10.82
AC01-PHENYLETHANONEA1ZK40.82