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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01288502

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.78
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
CPUA,B1CR60.84
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.75
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
DPKDEPRENYLA,B2BYB0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.83
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.71
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE
A,B2G1Q0.76
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
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
271N-methyl-1-phenylmethanamineX2RBT0.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.79
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.7
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
FA4SM-25453A,B2D1O0.73
FA4SM-25453A,B2D1N0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.82
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71