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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02168508

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.84
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.85
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
DPKDEPRENYLA,B2BYB0.82
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.78
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.82
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.74
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.77
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.84
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.84
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.84
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.84
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.84
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.74
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.81
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.81
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.75
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.71
PRY2-PROPYL-ANILINEA1OWY0.71
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.76
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.82
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.84
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.84
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.84
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.74
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.87
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.81
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
BZZBENZYLHYDRAZINEA,B2E2V0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.82
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.82
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
271N-methyl-1-phenylmethanamineX2RBT0.86
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.82
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
CPUA,B1CR60.79
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.79
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
34A3,4-DIMETHYLANILINEA1L4K0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
A8BA1ODC0.71