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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02314937

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.79
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL
A1R6G0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
3XH3-Hydroxyhippuric acidA3E9K0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.74
AEF4-(2-aminoethyl)phenolA3BRA0.79
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
2LP2-ALLYLPHENOLA1OV50.71
ALEL-EPINEPHRINEA3PAH0.77
ALEL-EPINEPHRINEA2HKK0.77
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.76
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.76
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.73
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.81
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.81