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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903403

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.7
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.89
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.86
FBA4-FLUOROBENZYLAMINEA1TNH0.86
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.85
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.83
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.83
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.86
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.77
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.74
DPKDEPRENYLA,B2BYB0.82
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.74
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.78
CPUA,B1CR60.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.82
1MRN-METHYLANILINEX2OTZ0.72
BENBENZAMIDINEA2TIO0.75
BENBENZAMIDINEA1J150.75
BENBENZAMIDINEA,B3BEU0.75
BENBENZAMIDINET1V2U0.75
BENBENZAMIDINEA,B,C,D,E,F3CF80.75
BENBENZAMIDINEA1S0R0.75
BENBENZAMIDINEA,B1V160.75
BENBENZAMIDINEA1CC70.75
BENBENZAMIDINEA3BG80.75
BENBENZAMIDINEA1CC80.75
BENBENZAMIDINEA3PTB0.75
BENBENZAMIDINEA,B1TRM0.75
BENBENZAMIDINEA1ZHR0.75
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.75
BENBENZAMIDINEA2BLV0.75
BENBENZAMIDINEA,B,C,D,E,F2GLP0.75
BENBENZAMIDINEH,I3D490.75
BENBENZAMIDINEH,L,T2AER0.75
BENBENZAMIDINEA1J140.75
BENBENZAMIDINEA1NSA0.75
BENBENZAMIDINEA2AYW0.75
BENBENZAMIDINEA1BRA0.75
BENBENZAMIDINEA,B,C,D1A0J0.75
BENBENZAMIDINEB,C,D2AST0.75
BENBENZAMIDINEA,B2CKR0.75
BENBENZAMIDINEA1LPU0.75
BENBENZAMIDINEA1ZHM0.75
BENBENZAMIDINEA1J8A0.75
BENBENZAMIDINEA,B3BCX0.75
BENBENZAMIDINEA,B,C,D,E,F3CF90.75
BENBENZAMIDINEA,B,C,D,E,F3D040.75
BENBENZAMIDINEA,B,C,D,E,F2GLL0.75
BENBENZAMIDINEA1AND0.75
BENBENZAMIDINEA2TBS0.75
BENBENZAMIDINEA,B,C,D,E,F3DP20.75
BENBENZAMIDINET1V2M0.75
BENBENZAMIDINEA2EEK0.75
BENBENZAMIDINEH,I2ZI20.75
BENBENZAMIDINET1V2J0.75
BENBENZAMIDINEH1KLI0.75
BENBENZAMIDINEA1CE50.75
BENBENZAMIDINEA,B,C,D,E,F3B7J0.75
BENBENZAMIDINEB,Y2PKA0.75
BENBENZAMIDINEA2VJ00.75
BENBENZAMIDINEA3B3J0.75
BENBENZAMIDINEA,B,C,D,E,F3DOY0.75
BENBENZAMIDINEA,B,C,D,E,F3DP30.75
BENBENZAMIDINEA,B,C,D,E,F2GLM0.75
BENBENZAMIDINEA1ANB0.75
BENBENZAMIDINEA1LO60.75
BENBENZAMIDINEA1LR40.75
BENBENZAMIDINEA,B1V1M0.75
BENBENZAMIDINEA1ZHP0.75
BENBENZAMIDINEA2J9N0.75
BENBENZAMIDINEA2BMV0.75
BENBENZAMIDINEA,B2CKS0.75
BENBENZAMIDINEA2BLW0.75
BENBENZAMIDINEA1J160.75
BENBENZAMIDINEA,B1V110.75
BENBENZAMIDINEA,B,C,D,E,F3DP00.75
BENBENZAMIDINEB1RTF0.75
BENBENZAMIDINEA,B,C,D,E,F3DP10.75
BENBENZAMIDINEA,B,C,D2E580.75
BENBENZAMIDINEA2TRM0.75
BENBENZAMIDINET1V2V0.75
BENBENZAMIDINEA1MBQ0.75
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.75
BENBENZAMIDINEA2O8U0.75
BENBENZAMIDINEH1DWB0.75
BENBENZAMIDINEB,C2ASS0.75
BENBENZAMIDINEA1ANE0.75
BENBENZAMIDINEH,I2ZIQ0.75
BENBENZAMIDINEA1BIT0.75
BENBENZAMIDINEA2AIQ0.75
BENBENZAMIDINEA2OQ50.75
BENBENZAMIDINEA1ANC0.75
BENBENZAMIDINEH1JBU0.75
BENBENZAMIDINEA,B2BPQ0.75
BENBENZAMIDINEA,B,C,D2GNN0.75
BENBENZAMIDINET1V2S0.75
BENBENZAMIDINEA1H4W0.75
BENBENZAMIDINEA1OSS0.75
BENBENZAMIDINEA1W800.75
BENBENZAMIDINEA1BTY0.75
BENBENZAMIDINEH,I2ZFQ0.75
BENBENZAMIDINEA1EAX0.75
BENBENZAMIDINEA1L2E0.75
BENBENZAMIDINEA1WRI0.75
BENBENZAMIDINEA,B3BB80.75
BENBENZAMIDINEA2OXS0.75
BENBENZAMIDINEA1DPO0.75
BENBENZAMIDINET1V2L0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.89
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
34A3,4-DIMETHYLANILINEA1L4K0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.84
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
PHAPHENYLALANINALA,B1OB20.71
PHAPHENYLALANINALV,Y,Z2WDG0.71
PHAPHENYLALANINALV,Y,Z2WDK0.71
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.71
PHAPHENYLALANINALP3SGA0.71
PHAPHENYLALANINALA,B,C,D,E,F1OB50.71
PHAPHENYLALANINALV,Y,Z2WDM0.71
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.71
PHAPHENYLALANINALA,B1KDV0.71
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.71
PHAPHENYLALANINALA,B1KDY0.71
PHAPHENYLALANINALV,Y,Z3FIC0.71
PHAPHENYLALANINALV,Y,Z2WDH0.71
PHAPHENYLALANINALA,B1KE20.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.75
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.86
PEA2-PHENYLETHYLAMINEA1TNJ0.86
PEA2-PHENYLETHYLAMINED,H2HKM0.86
PEA2-PHENYLETHYLAMINEA1UTO0.86
PEA2-PHENYLETHYLAMINEA,B1D6Y0.86
PEA2-PHENYLETHYLAMINEA,B1D6Z0.86
PEA2-PHENYLETHYLAMINEA,B1D6U0.86
PEA2-PHENYLETHYLAMINEA1UTM0.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.86
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.86
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
PRY2-PROPYL-ANILINEA1OWY0.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.76
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.77
271N-methyl-1-phenylmethanamineX2RBT0.96
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.78
ABNBENZYLAMINED,H2HXC0.89
ABNBENZYLAMINEA,I1A860.89
ABNBENZYLAMINEA1UTN0.89
ABNBENZYLAMINEA1N6X0.89
ABNBENZYLAMINEA2BZA0.89
ABNBENZYLAMINEA2EUS0.89
ABNBENZYLAMINEA1N6Y0.89
ABNBENZYLAMINEA1UTJ0.89
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.87
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.87
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.78
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.83
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.87
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.83
264(phenylamino)acetonitrileA2RBN0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.83
B2FPHENYLALANINE BORONIC ACIDA,P1P060.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.83
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.83
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.71
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.86
PRA3-PHENYLPROPYLAMINEA1TNK0.85
PRA3-PHENYLPROPYLAMINEM1UTL0.85
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.83
BAMBENZAMIDINEU1F5K0.75
BAMBENZAMIDINEX2BY80.75
BAMBENZAMIDINEB2PSM0.75
BAMBENZAMIDINEX2BY90.75
BAMBENZAMIDINEA1C1N0.75
BAMBENZAMIDINEX2BY60.75
BAMBENZAMIDINEH,I1C5O0.75
BAMBENZAMIDINEA1XX40.75
BAMBENZAMIDINEA1HJ80.75
BAMBENZAMIDINEA1C5P0.75
BAMBENZAMIDINEB1C5Z0.75
BAMBENZAMIDINEA,B1ZVW0.75
BAMBENZAMIDINEA2ANW0.75
BAMBENZAMIDINEA2ANY0.75
BAMBENZAMIDINEX2BYA0.75
BAMBENZAMIDINEA1TIO0.75
BAMBENZAMIDINEX2BY50.75
BAMBENZAMIDINEX2BY70.75
PBN4-PHENYLBUTYLAMINEA1TNI0.85
PBN4-PHENYLBUTYLAMINEA1UTP0.85
2631-(azidomethyl)-3-methylbenzeneX2RB20.81
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
BZZBENZYLHYDRAZINEA,B2E2V0.81
NYLN-ALLYL-ANILINEA1OVK0.77
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.86
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.86
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.79
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.8
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.8