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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016370

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
173BENZOYL-FORMIC ACIDA,B1SZE0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.86
AC01-PHENYLETHANONEA1ZK10.91
AC01-PHENYLETHANONEA1ZK40.91
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.76
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.85
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
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.74
ANQACENAPHTHENEQUINONEH,J1OAX0.8
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.8
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.76
BDBA,B1KE30.7
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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		1QZV0.8
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
HBXbenzaldehydeA,B3GDN0.81
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
3PL3-PHENYLPROPANALE1Y3G0.78
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.74
VK3MENADIONEA1TUV0.85
VK3MENADIONEA,B2QR20.85
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.78
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.7
26CA,B2F7I0.74
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.79
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
MQ9MENAQUINONE-9C,H,L,M3D380.8
MQ9MENAQUINONE-9C,H,L,M1VRN0.8
MQ9MENAQUINONE-9C,H,L,M2I5N0.8
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.8
1LPTRANYLCYPROMINEA,B1OJB0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.72
FBCA,B2B9A0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.8
MQ7MENAQUINONE-7C,H,L,M5PRC0.8
MQ7MENAQUINONE-7C,H,L,M7PRC0.8
MQ7MENAQUINONE-7C,H,L,M2PRC0.8
MQ7MENAQUINONE-7C,H,L,M1R2C0.8
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.8
MQ7MENAQUINONE-7C,H,L,M3PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.8
MQ7MENAQUINONE-7C,H,L,M2JBL0.8
MQ7MENAQUINONE-7C,H,L,M6PRC0.8
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
4FCA1YSG0.75
HY1PHENYLACETALDEHYDED,H2I0S0.79
HY1PHENYLACETALDEHYDEA,B1D6Y0.79
HY1PHENYLACETALDEHYDEA,B1D6Z0.79
HY1PHENYLACETALDEHYDED,H2OK40.79
HY1PHENYLACETALDEHYDEA,B1D6U0.79
BZQDIPHENYLMETHANONEA,B1GT50.95
BZQDIPHENYLMETHANONEA,B1DZP0.95
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71