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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049656

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.72
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.72
HBXbenzaldehydeA,B3GDN0.82
3PL3-PHENYLPROPANALE1Y3G0.76
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.72
1LPTRANYLCYPROMINEA,B1OJB0.76
MQ8MENAQUINONE 8C,H,L,M1EYS0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.79
173BENZOYL-FORMIC ACIDA,B1SZE0.7
MQ9MENAQUINONE-9C,H,L,M3D380.73
MQ9MENAQUINONE-9C,H,L,M1VRN0.73
MQ9MENAQUINONE-9C,H,L,M2I5N0.73
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.73
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.72
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.73
MQ7MENAQUINONE-7C,H,L,M5PRC0.73
MQ7MENAQUINONE-7C,H,L,M7PRC0.73
MQ7MENAQUINONE-7C,H,L,M2PRC0.73
MQ7MENAQUINONE-7C,H,L,M1R2C0.73
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.73
MQ7MENAQUINONE-7C,H,L,M3PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.73
MQ7MENAQUINONE-7C,H,L,M2JBL0.73
MQ7MENAQUINONE-7C,H,L,M6PRC0.73
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.73
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.8
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.8
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.8
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.8
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.8
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.8
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.8
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.72
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.72
BZQDIPHENYLMETHANONEA,B1GT50.77
BZQDIPHENYLMETHANONEA,B1DZP0.77
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
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
1QZV0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.7
AC01-PHENYLETHANONEA1ZK10.82
AC01-PHENYLETHANONEA1ZK40.82
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77