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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020752

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.8
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
2682-phenoxyethanolA2RBR0.78
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.76
258(2-chloroethoxy)benzeneX2RAY0.77
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
2612-ethoxyphenolX2RB10.75
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.78
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.75
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.7
IOL4-IODOPHENOLA,B1EWA0.73
SXXSINAPINATEA,B1WB40.71
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.77
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.77
RCORESORCINOLA,B,C,D,E,F2OMH0.77
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.77
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.77
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.77
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.73
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.73
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7