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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03275933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
I4BISOBUTYLBENZENEA184L0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
BDBA,B1KE30.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
BZQDIPHENYLMETHANONEA,B1GT50.79
BZQDIPHENYLMETHANONEA,B1DZP0.79
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.75
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.71
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
VK3MENADIONEA1TUV0.75
VK3MENADIONEA,B2QR20.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
1LPTRANYLCYPROMINEA,B1OJB0.78
MQ9MENAQUINONE-9C,H,L,M3D380.76
MQ9MENAQUINONE-9C,H,L,M1VRN0.76
MQ9MENAQUINONE-9C,H,L,M2I5N0.76
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.76
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.77
MQ7MENAQUINONE-7C,H,L,M1PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.76
MQ7MENAQUINONE-7C,H,L,M5PRC0.76
MQ7MENAQUINONE-7C,H,L,M7PRC0.76
MQ7MENAQUINONE-7C,H,L,M2PRC0.76
MQ7MENAQUINONE-7C,H,L,M1R2C0.76
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.76
MQ7MENAQUINONE-7C,H,L,M3PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.76
MQ7MENAQUINONE-7C,H,L,M2JBL0.76
MQ7MENAQUINONE-7C,H,L,M6PRC0.76
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.78
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.78
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.78
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.78
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
1QZV0.78
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.71
ANQACENAPHTHENEQUINONEH,J1OAX0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
3PL3-PHENYLPROPANALE1Y3G0.74
BFLA,B1Q4G0.74
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.76