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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03367735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
9AP9-AMINOPHENANTHRENEA1EGY0.72
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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
FPRPROPYLBENZENEC1RHK0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
BDBA,B1KE30.74
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.7
34A3,4-DIMETHYLANILINEA1L4K0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.96
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.84
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
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.79
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
ABNBENZYLAMINED,H2HXC0.88
ABNBENZYLAMINEA,I1A860.88
ABNBENZYLAMINEA1UTN0.88
ABNBENZYLAMINEA1N6X0.88
ABNBENZYLAMINEA2BZA0.88
ABNBENZYLAMINEA2EUS0.88
ABNBENZYLAMINEA1N6Y0.88
ABNBENZYLAMINEA1UTJ0.88
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
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
NPYNAPHTHALENEA,B1O7G0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.7
I4BISOBUTYLBENZENEA184L0.73
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
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
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
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.88
BZZBENZYLHYDRAZINEA,B2E2V0.8
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
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
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.8
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
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.77
271N-methyl-1-phenylmethanamineX2RBT0.85
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.84
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.84
N4BN-BUTYLBENZENEA186L0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
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
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
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
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.84
DPKDEPRENYLA,B2BYB0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.71