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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242905

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHLL-PHENYLALANINOLA,B1JOH0.76
PHLL-PHENYLALANINOLI3APR0.76
PHLL-PHENYLALANINOLA1DLZ0.76
PHLL-PHENYLALANINOLA1IH90.76
PHLL-PHENYLALANINOLA1OB40.76
PHLL-PHENYLALANINOLI2ER60.76
PHLL-PHENYLALANINOLA1R9U0.76
PHLL-PHENYLALANINOLA1OB70.76
PHLL-PHENYLALANINOLA,B1OB60.76
PHLL-PHENYLALANINOLA,B,C1AMT0.76
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
CPUA,B1CR60.73
271N-methyl-1-phenylmethanamineX2RBT0.82
34A3,4-DIMETHYLANILINEA1L4K0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
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
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.93
PEA2-PHENYLETHYLAMINEA1TNJ0.93
PEA2-PHENYLETHYLAMINED,H2HKM0.93
PEA2-PHENYLETHYLAMINEA1UTO0.93
PEA2-PHENYLETHYLAMINEA,B1D6Y0.93
PEA2-PHENYLETHYLAMINEA,B1D6Z0.93
PEA2-PHENYLETHYLAMINEA,B1D6U0.93
PEA2-PHENYLETHYLAMINEA1UTM0.93
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.76
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.8
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.8
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
BZZBENZYLHYDRAZINEA,B2E2V0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.75
PRY2-PROPYL-ANILINEA1OWY0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
DPKDEPRENYLA,B2BYB0.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.93
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.93
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
2HT3-methylbenzonitrileA,B3F880.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.92
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.85
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.86
PHAPHENYLALANINALA,B1OB20.76
PHAPHENYLALANINALV,Y,Z2WDG0.76
PHAPHENYLALANINALV,Y,Z2WDK0.76
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.76
PHAPHENYLALANINALP3SGA0.76
PHAPHENYLALANINALA,B,C,D,E,F1OB50.76
PHAPHENYLALANINALV,Y,Z2WDM0.76
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.76
PHAPHENYLALANINALA,B1KDV0.76
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.76
PHAPHENYLALANINALA,B1KDY0.76
PHAPHENYLALANINALV,Y,Z3FIC0.76
PHAPHENYLALANINALV,Y,Z2WDH0.76
PHAPHENYLALANINALA,B1KE20.76
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.81
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.89
B2FPHENYLALANINE BORONIC ACIDA,P1P060.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.89
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.89
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
ABNBENZYLAMINED,H2HXC0.85
ABNBENZYLAMINEA,I1A860.85
ABNBENZYLAMINEA1UTN0.85
ABNBENZYLAMINEA1N6X0.85
ABNBENZYLAMINEA2BZA0.85
ABNBENZYLAMINEA2EUS0.85
ABNBENZYLAMINEA1N6Y0.85
ABNBENZYLAMINEA1UTJ0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.77
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
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.82
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.92
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.92
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.92
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.91
PRA3-PHENYLPROPYLAMINEM1UTL0.91
PBN4-PHENYLBUTYLAMINEA1TNI0.91
PBN4-PHENYLBUTYLAMINEA1UTP0.91
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.91
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
N4BN-BUTYLBENZENEA186L0.77
BDBA,B1KE30.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
I4BISOBUTYLBENZENEA184L0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.82
FBA4-FLUOROBENZYLAMINEA1TNH0.82
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79