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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013984

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.85
CPUA,B1CR60.75
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.78
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
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
BAMBENZAMIDINEU1F5K0.71
BAMBENZAMIDINEX2BY80.71
BAMBENZAMIDINEB2PSM0.71
BAMBENZAMIDINEX2BY90.71
BAMBENZAMIDINEA1C1N0.71
BAMBENZAMIDINEX2BY60.71
BAMBENZAMIDINEH,I1C5O0.71
BAMBENZAMIDINEA1XX40.71
BAMBENZAMIDINEA1HJ80.71
BAMBENZAMIDINEA1C5P0.71
BAMBENZAMIDINEB1C5Z0.71
BAMBENZAMIDINEA,B1ZVW0.71
BAMBENZAMIDINEA2ANW0.71
BAMBENZAMIDINEA2ANY0.71
BAMBENZAMIDINEX2BYA0.71
BAMBENZAMIDINEA1TIO0.71
BAMBENZAMIDINEX2BY50.71
BAMBENZAMIDINEX2BY70.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.79
1MRN-METHYLANILINEX2OTZ0.73
34A3,4-DIMETHYLANILINEA1L4K0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.82
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.72
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.7
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.84
PRY2-PROPYL-ANILINEA1OWY0.75
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
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.7
271N-methyl-1-phenylmethanamineX2RBT0.94
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.76
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.75
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.8
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.86
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
BZZBENZYLHYDRAZINEA,B2E2V0.77
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.71
BENBENZAMIDINEA2TIO0.71
BENBENZAMIDINEA1J150.71
BENBENZAMIDINEA,B3BEU0.71
BENBENZAMIDINET1V2U0.71
BENBENZAMIDINEA,B,C,D,E,F3CF80.71
BENBENZAMIDINEA1S0R0.71
BENBENZAMIDINEA,B1V160.71
BENBENZAMIDINEA1CC70.71
BENBENZAMIDINEA3BG80.71
BENBENZAMIDINEA1CC80.71
BENBENZAMIDINEA3PTB0.71
BENBENZAMIDINEA,B1TRM0.71
BENBENZAMIDINEA1ZHR0.71
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.71
BENBENZAMIDINEA2BLV0.71
BENBENZAMIDINEA,B,C,D,E,F2GLP0.71
BENBENZAMIDINEH,I3D490.71
BENBENZAMIDINEH,L,T2AER0.71
BENBENZAMIDINEA1J140.71
BENBENZAMIDINEA1NSA0.71
BENBENZAMIDINEA2AYW0.71
BENBENZAMIDINEA1BRA0.71
BENBENZAMIDINEA,B,C,D1A0J0.71
BENBENZAMIDINEB,C,D2AST0.71
BENBENZAMIDINEA,B2CKR0.71
BENBENZAMIDINEA1LPU0.71
BENBENZAMIDINEA1ZHM0.71
BENBENZAMIDINEA1J8A0.71
BENBENZAMIDINEA,B3BCX0.71
BENBENZAMIDINEA,B,C,D,E,F3CF90.71
BENBENZAMIDINEA,B,C,D,E,F3D040.71
BENBENZAMIDINEA,B,C,D,E,F2GLL0.71
BENBENZAMIDINEA1AND0.71
BENBENZAMIDINEA2TBS0.71
BENBENZAMIDINEA,B,C,D,E,F3DP20.71
BENBENZAMIDINET1V2M0.71
BENBENZAMIDINEA2EEK0.71
BENBENZAMIDINEH,I2ZI20.71
BENBENZAMIDINET1V2J0.71
BENBENZAMIDINEH1KLI0.71
BENBENZAMIDINEA1CE50.71
BENBENZAMIDINEA,B,C,D,E,F3B7J0.71
BENBENZAMIDINEB,Y2PKA0.71
BENBENZAMIDINEA2VJ00.71
BENBENZAMIDINEA3B3J0.71
BENBENZAMIDINEA,B,C,D,E,F3DOY0.71
BENBENZAMIDINEA,B,C,D,E,F3DP30.71
BENBENZAMIDINEA,B,C,D,E,F2GLM0.71
BENBENZAMIDINEA1ANB0.71
BENBENZAMIDINEA1LO60.71
BENBENZAMIDINEA1LR40.71
BENBENZAMIDINEA,B1V1M0.71
BENBENZAMIDINEA1ZHP0.71
BENBENZAMIDINEA2J9N0.71
BENBENZAMIDINEA2BMV0.71
BENBENZAMIDINEA,B2CKS0.71
BENBENZAMIDINEA2BLW0.71
BENBENZAMIDINEA1J160.71
BENBENZAMIDINEA,B1V110.71
BENBENZAMIDINEA,B,C,D,E,F3DP00.71
BENBENZAMIDINEB1RTF0.71
BENBENZAMIDINEA,B,C,D,E,F3DP10.71
BENBENZAMIDINEA,B,C,D2E580.71
BENBENZAMIDINEA2TRM0.71
BENBENZAMIDINET1V2V0.71
BENBENZAMIDINEA1MBQ0.71
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.71
BENBENZAMIDINEA2O8U0.71
BENBENZAMIDINEH1DWB0.71
BENBENZAMIDINEB,C2ASS0.71
BENBENZAMIDINEA1ANE0.71
BENBENZAMIDINEH,I2ZIQ0.71
BENBENZAMIDINEA1BIT0.71
BENBENZAMIDINEA2AIQ0.71
BENBENZAMIDINEA2OQ50.71
BENBENZAMIDINEA1ANC0.71
BENBENZAMIDINEH1JBU0.71
BENBENZAMIDINEA,B2BPQ0.71
BENBENZAMIDINEA,B,C,D2GNN0.71
BENBENZAMIDINET1V2S0.71
BENBENZAMIDINEA1H4W0.71
BENBENZAMIDINEA1OSS0.71
BENBENZAMIDINEA1W800.71
BENBENZAMIDINEA1BTY0.71
BENBENZAMIDINEH,I2ZFQ0.71
BENBENZAMIDINEA1EAX0.71
BENBENZAMIDINEA1L2E0.71
BENBENZAMIDINEA1WRI0.71
BENBENZAMIDINEA,B3BB80.71
BENBENZAMIDINEA2OXS0.71
BENBENZAMIDINEA1DPO0.71
BENBENZAMIDINET1V2L0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.79
B2FPHENYLALANINE BORONIC ACIDA,P1P060.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.79
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.79
DPKDEPRENYLA,B2BYB0.85
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.7
NYLN-ALLYL-ANILINEA1OVK0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.81
FBA4-FLUOROBENZYLAMINEA1TNH0.81
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.84
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.84
264(phenylamino)acetonitrileA2RBN0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.82
PEA2-PHENYLETHYLAMINEA1TNJ0.82
PEA2-PHENYLETHYLAMINED,H2HKM0.82
PEA2-PHENYLETHYLAMINEA1UTO0.82
PEA2-PHENYLETHYLAMINEA,B1D6Y0.82
PEA2-PHENYLETHYLAMINEA,B1D6Z0.82
PEA2-PHENYLETHYLAMINEA,B1D6U0.82
PEA2-PHENYLETHYLAMINEA1UTM0.82
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.79
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.83
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.83
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.83
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.87
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.82
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.84
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.84
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.77
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.9
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.81
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.83
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.83
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8