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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ8MENAQUINONE 8C,H,L,M1EYS0.84
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.73
3PL3-PHENYLPROPANALE1Y3G0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
FBCA,B2B9A0.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.71
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
BDBA,B1KE30.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.84
MQ7MENAQUINONE-7C,H,L,M5PRC0.84
MQ7MENAQUINONE-7C,H,L,M7PRC0.84
MQ7MENAQUINONE-7C,H,L,M2PRC0.84
MQ7MENAQUINONE-7C,H,L,M1R2C0.84
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.84
MQ7MENAQUINONE-7C,H,L,M3PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.84
MQ7MENAQUINONE-7C,H,L,M2JBL0.84
MQ7MENAQUINONE-7C,H,L,M6PRC0.84
26CA,B2F7I0.71
HBXbenzaldehydeA,B3GDN0.79
AC01-PHENYLETHANONEA1ZK10.89
AC01-PHENYLETHANONEA1ZK40.89
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
VK3MENADIONEA1TUV0.87
VK3MENADIONEA,B2QR20.87
MQ9MENAQUINONE-9C,H,L,M3D380.84
MQ9MENAQUINONE-9C,H,L,M1VRN0.84
MQ9MENAQUINONE-9C,H,L,M2I5N0.84
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.84
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.78
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.82
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
4FCA1YSG0.72
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.87
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
1LPTRANYLCYPROMINEA,B1OJB0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.74
BFLA,B1Q4G0.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.76
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.84
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.84
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.84
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.84
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
1QZV0.84
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
NPYNAPHTHALENEA,B1O7G0.71
BZQDIPHENYLMETHANONEA,B1GT50.95
BZQDIPHENYLMETHANONEA,B1DZP0.95
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.9
ANQACENAPHTHENEQUINONEH,J1OAX0.84