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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02810411

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.76
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.77
VK3MENADIONEA1TUV0.8
VK3MENADIONEA,B2QR20.8
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
BDBA,B1KE30.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
1LPTRANYLCYPROMINEA,B1OJB0.79
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
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
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.84
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.83
NPYNAPHTHALENEA,B1O7G0.7
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.82
BZQDIPHENYLMETHANONEA,B1GT50.88
BZQDIPHENYLMETHANONEA,B1DZP0.88
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.82
3PL3-PHENYLPROPANALE1Y3G0.78
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.73
AC01-PHENYLETHANONEA1ZK10.81
AC01-PHENYLETHANONEA1ZK40.81
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.7
I4BISOBUTYLBENZENEA184L0.71
HBXbenzaldehydeA,B3GDN0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.8
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
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
BFLA,B1Q4G0.73
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
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