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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010840

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.86
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.86
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.78
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.85
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.91
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.76
CPUA,B1CR60.74
34A3,4-DIMETHYLANILINEA1L4K0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.85
PEA2-PHENYLETHYLAMINEA1TNJ0.85
PEA2-PHENYLETHYLAMINED,H2HKM0.85
PEA2-PHENYLETHYLAMINEA1UTO0.85
PEA2-PHENYLETHYLAMINEA,B1D6Y0.85
PEA2-PHENYLETHYLAMINEA,B1D6Z0.85
PEA2-PHENYLETHYLAMINEA,B1D6U0.85
PEA2-PHENYLETHYLAMINEA1UTM0.85
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.7
ABNBENZYLAMINED,H2HXC0.88
ABNBENZYLAMINEA,I1A860.88
ABNBENZYLAMINEA1UTN0.88
ABNBENZYLAMINEA1N6X0.88
ABNBENZYLAMINEA2BZA0.88
ABNBENZYLAMINEA2EUS0.88
ABNBENZYLAMINEA1N6Y0.88
ABNBENZYLAMINEA1UTJ0.88
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.7
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
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.86
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.79
NYLN-ALLYL-ANILINEA1OVK0.76
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.79
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.7
N4BN-BUTYLBENZENEA186L0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.85
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
BENBENZAMIDINEA2TIO0.74
BENBENZAMIDINEA1J150.74
BENBENZAMIDINEA,B3BEU0.74
BENBENZAMIDINET1V2U0.74
BENBENZAMIDINEA,B,C,D,E,F3CF80.74
BENBENZAMIDINEA1S0R0.74
BENBENZAMIDINEA,B1V160.74
BENBENZAMIDINEA1CC70.74
BENBENZAMIDINEA3BG80.74
BENBENZAMIDINEA1CC80.74
BENBENZAMIDINEA3PTB0.74
BENBENZAMIDINEA,B1TRM0.74
BENBENZAMIDINEA1ZHR0.74
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.74
BENBENZAMIDINEA2BLV0.74
BENBENZAMIDINEA,B,C,D,E,F2GLP0.74
BENBENZAMIDINEH,I3D490.74
BENBENZAMIDINEH,L,T2AER0.74
BENBENZAMIDINEA1J140.74
BENBENZAMIDINEA1NSA0.74
BENBENZAMIDINEA2AYW0.74
BENBENZAMIDINEA1BRA0.74
BENBENZAMIDINEA,B,C,D1A0J0.74
BENBENZAMIDINEB,C,D2AST0.74
BENBENZAMIDINEA,B2CKR0.74
BENBENZAMIDINEA1LPU0.74
BENBENZAMIDINEA1ZHM0.74
BENBENZAMIDINEA1J8A0.74
BENBENZAMIDINEA,B3BCX0.74
BENBENZAMIDINEA,B,C,D,E,F3CF90.74
BENBENZAMIDINEA,B,C,D,E,F3D040.74
BENBENZAMIDINEA,B,C,D,E,F2GLL0.74
BENBENZAMIDINEA1AND0.74
BENBENZAMIDINEA2TBS0.74
BENBENZAMIDINEA,B,C,D,E,F3DP20.74
BENBENZAMIDINET1V2M0.74
BENBENZAMIDINEA2EEK0.74
BENBENZAMIDINEH,I2ZI20.74
BENBENZAMIDINET1V2J0.74
BENBENZAMIDINEH1KLI0.74
BENBENZAMIDINEA1CE50.74
BENBENZAMIDINEA,B,C,D,E,F3B7J0.74
BENBENZAMIDINEB,Y2PKA0.74
BENBENZAMIDINEA2VJ00.74
BENBENZAMIDINEA3B3J0.74
BENBENZAMIDINEA,B,C,D,E,F3DOY0.74
BENBENZAMIDINEA,B,C,D,E,F3DP30.74
BENBENZAMIDINEA,B,C,D,E,F2GLM0.74
BENBENZAMIDINEA1ANB0.74
BENBENZAMIDINEA1LO60.74
BENBENZAMIDINEA1LR40.74
BENBENZAMIDINEA,B1V1M0.74
BENBENZAMIDINEA1ZHP0.74
BENBENZAMIDINEA2J9N0.74
BENBENZAMIDINEA2BMV0.74
BENBENZAMIDINEA,B2CKS0.74
BENBENZAMIDINEA2BLW0.74
BENBENZAMIDINEA1J160.74
BENBENZAMIDINEA,B1V110.74
BENBENZAMIDINEA,B,C,D,E,F3DP00.74
BENBENZAMIDINEB1RTF0.74
BENBENZAMIDINEA,B,C,D,E,F3DP10.74
BENBENZAMIDINEA,B,C,D2E580.74
BENBENZAMIDINEA2TRM0.74
BENBENZAMIDINET1V2V0.74
BENBENZAMIDINEA1MBQ0.74
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.74
BENBENZAMIDINEA2O8U0.74
BENBENZAMIDINEH1DWB0.74
BENBENZAMIDINEB,C2ASS0.74
BENBENZAMIDINEA1ANE0.74
BENBENZAMIDINEH,I2ZIQ0.74
BENBENZAMIDINEA1BIT0.74
BENBENZAMIDINEA2AIQ0.74
BENBENZAMIDINEA2OQ50.74
BENBENZAMIDINEA1ANC0.74
BENBENZAMIDINEH1JBU0.74
BENBENZAMIDINEA,B2BPQ0.74
BENBENZAMIDINEA,B,C,D2GNN0.74
BENBENZAMIDINET1V2S0.74
BENBENZAMIDINEA1H4W0.74
BENBENZAMIDINEA1OSS0.74
BENBENZAMIDINEA1W800.74
BENBENZAMIDINEA1BTY0.74
BENBENZAMIDINEH,I2ZFQ0.74
BENBENZAMIDINEA1EAX0.74
BENBENZAMIDINEA1L2E0.74
BENBENZAMIDINEA1WRI0.74
BENBENZAMIDINEA,B3BB80.74
BENBENZAMIDINEA2OXS0.74
BENBENZAMIDINEA1DPO0.74
BENBENZAMIDINET1V2L0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.84
FBA4-FLUOROBENZYLAMINEA1TNH0.84
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
PRY2-PROPYL-ANILINEA1OWY0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.7
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
BZZBENZYLHYDRAZINEA,B2E2V0.8
264(phenylamino)acetonitrileA2RBN0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.79
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.85
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
DPKDEPRENYLA,B2BYB0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.81
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.81
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.84
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.84
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.82
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.85
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.85
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.81
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.83
BNFN-BENZYLFORMAMIDEA,B1U3U0.88
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.82
B2FPHENYLALANINE BORONIC ACIDA,P1P060.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.82
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.82
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
FPRPROPYLBENZENEC1RHK0.71
BAMBENZAMIDINEU1F5K0.74
BAMBENZAMIDINEX2BY80.74
BAMBENZAMIDINEB2PSM0.74
BAMBENZAMIDINEX2BY90.74
BAMBENZAMIDINEA1C1N0.74
BAMBENZAMIDINEX2BY60.74
BAMBENZAMIDINEH,I1C5O0.74
BAMBENZAMIDINEA1XX40.74
BAMBENZAMIDINEA1HJ80.74
BAMBENZAMIDINEA1C5P0.74
BAMBENZAMIDINEB1C5Z0.74
BAMBENZAMIDINEA,B1ZVW0.74
BAMBENZAMIDINEA2ANW0.74
BAMBENZAMIDINEA2ANY0.74
BAMBENZAMIDINEX2BYA0.74
BAMBENZAMIDINEA1TIO0.74
BAMBENZAMIDINEX2BY50.74
BAMBENZAMIDINEX2BY70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.87
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.87
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.87
271N-methyl-1-phenylmethanamineX2RBT0.97
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77