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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02851947

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE
A,B2G1Q0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.8
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
DPKDEPRENYLA,B2BYB0.71
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.82
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.81
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.78
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.81
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
CPUA,B1CR60.79
271N-methyl-1-phenylmethanamineX2RBT0.78
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72