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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320757

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
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.82
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.82
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
271N-methyl-1-phenylmethanamineX2RBT0.83
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
4PH4-methyl-L-phenylalanineB,C3BV90.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.85
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.76
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
2HT3-methylbenzonitrileA,B3F880.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
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
I4BISOBUTYLBENZENEA184L0.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.84
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
BENBENZAMIDINEA2TIO0.72
BENBENZAMIDINEA1J150.72
BENBENZAMIDINEA,B3BEU0.72
BENBENZAMIDINET1V2U0.72
BENBENZAMIDINEA,B,C,D,E,F3CF80.72
BENBENZAMIDINEA1S0R0.72
BENBENZAMIDINEA,B1V160.72
BENBENZAMIDINEA1CC70.72
BENBENZAMIDINEA3BG80.72
BENBENZAMIDINEA1CC80.72
BENBENZAMIDINEA3PTB0.72
BENBENZAMIDINEA,B1TRM0.72
BENBENZAMIDINEA1ZHR0.72
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.72
BENBENZAMIDINEA2BLV0.72
BENBENZAMIDINEA,B,C,D,E,F2GLP0.72
BENBENZAMIDINEH,I3D490.72
BENBENZAMIDINEH,L,T2AER0.72
BENBENZAMIDINEA1J140.72
BENBENZAMIDINEA1NSA0.72
BENBENZAMIDINEA2AYW0.72
BENBENZAMIDINEA1BRA0.72
BENBENZAMIDINEA,B,C,D1A0J0.72
BENBENZAMIDINEB,C,D2AST0.72
BENBENZAMIDINEA,B2CKR0.72
BENBENZAMIDINEA1LPU0.72
BENBENZAMIDINEA1ZHM0.72
BENBENZAMIDINEA1J8A0.72
BENBENZAMIDINEA,B3BCX0.72
BENBENZAMIDINEA,B,C,D,E,F3CF90.72
BENBENZAMIDINEA,B,C,D,E,F3D040.72
BENBENZAMIDINEA,B,C,D,E,F2GLL0.72
BENBENZAMIDINEA1AND0.72
BENBENZAMIDINEA2TBS0.72
BENBENZAMIDINEA,B,C,D,E,F3DP20.72
BENBENZAMIDINET1V2M0.72
BENBENZAMIDINEA2EEK0.72
BENBENZAMIDINEH,I2ZI20.72
BENBENZAMIDINET1V2J0.72
BENBENZAMIDINEH1KLI0.72
BENBENZAMIDINEA1CE50.72
BENBENZAMIDINEA,B,C,D,E,F3B7J0.72
BENBENZAMIDINEB,Y2PKA0.72
BENBENZAMIDINEA2VJ00.72
BENBENZAMIDINEA3B3J0.72
BENBENZAMIDINEA,B,C,D,E,F3DOY0.72
BENBENZAMIDINEA,B,C,D,E,F3DP30.72
BENBENZAMIDINEA,B,C,D,E,F2GLM0.72
BENBENZAMIDINEA1ANB0.72
BENBENZAMIDINEA1LO60.72
BENBENZAMIDINEA1LR40.72
BENBENZAMIDINEA,B1V1M0.72
BENBENZAMIDINEA1ZHP0.72
BENBENZAMIDINEA2J9N0.72
BENBENZAMIDINEA2BMV0.72
BENBENZAMIDINEA,B2CKS0.72
BENBENZAMIDINEA2BLW0.72
BENBENZAMIDINEA1J160.72
BENBENZAMIDINEA,B1V110.72
BENBENZAMIDINEA,B,C,D,E,F3DP00.72
BENBENZAMIDINEB1RTF0.72
BENBENZAMIDINEA,B,C,D,E,F3DP10.72
BENBENZAMIDINEA,B,C,D2E580.72
BENBENZAMIDINEA2TRM0.72
BENBENZAMIDINET1V2V0.72
BENBENZAMIDINEA1MBQ0.72
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.72
BENBENZAMIDINEA2O8U0.72
BENBENZAMIDINEH1DWB0.72
BENBENZAMIDINEB,C2ASS0.72
BENBENZAMIDINEA1ANE0.72
BENBENZAMIDINEH,I2ZIQ0.72
BENBENZAMIDINEA1BIT0.72
BENBENZAMIDINEA2AIQ0.72
BENBENZAMIDINEA2OQ50.72
BENBENZAMIDINEA1ANC0.72
BENBENZAMIDINEH1JBU0.72
BENBENZAMIDINEA,B2BPQ0.72
BENBENZAMIDINEA,B,C,D2GNN0.72
BENBENZAMIDINET1V2S0.72
BENBENZAMIDINEA1H4W0.72
BENBENZAMIDINEA1OSS0.72
BENBENZAMIDINEA1W800.72
BENBENZAMIDINEA1BTY0.72
BENBENZAMIDINEH,I2ZFQ0.72
BENBENZAMIDINEA1EAX0.72
BENBENZAMIDINEA1L2E0.72
BENBENZAMIDINEA1WRI0.72
BENBENZAMIDINEA,B3BB80.72
BENBENZAMIDINEA2OXS0.72
BENBENZAMIDINEA1DPO0.72
BENBENZAMIDINET1V2L0.72
34A3,4-DIMETHYLANILINEA1L4K0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
BZZBENZYLHYDRAZINEA,B2E2V0.78
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.93
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.93
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.92
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.92
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.89
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.89
FPRPROPYLBENZENEC1RHK0.78
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
DENINDENEA183L0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.88
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
DPKDEPRENYLA,B2BYB0.79
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
CPUA,B1CR60.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.76
PRY2-PROPYL-ANILINEA1OWY0.76
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.86
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
BAMBENZAMIDINEU1F5K0.72
BAMBENZAMIDINEX2BY80.72
BAMBENZAMIDINEB2PSM0.72
BAMBENZAMIDINEX2BY90.72
BAMBENZAMIDINEA1C1N0.72
BAMBENZAMIDINEX2BY60.72
BAMBENZAMIDINEH,I1C5O0.72
BAMBENZAMIDINEA1XX40.72
BAMBENZAMIDINEA1HJ80.72
BAMBENZAMIDINEA1C5P0.72
BAMBENZAMIDINEB1C5Z0.72
BAMBENZAMIDINEA,B1ZVW0.72
BAMBENZAMIDINEA2ANW0.72
BAMBENZAMIDINEA2ANY0.72
BAMBENZAMIDINEX2BYA0.72
BAMBENZAMIDINEA1TIO0.72
BAMBENZAMIDINEX2BY50.72
BAMBENZAMIDINEX2BY70.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.81
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.93
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.93
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.76
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.94
PEA2-PHENYLETHYLAMINEA1TNJ0.94
PEA2-PHENYLETHYLAMINED,H2HKM0.94
PEA2-PHENYLETHYLAMINEA1UTO0.94
PEA2-PHENYLETHYLAMINEA,B1D6Y0.94
PEA2-PHENYLETHYLAMINEA,B1D6Z0.94
PEA2-PHENYLETHYLAMINEA,B1D6U0.94
PEA2-PHENYLETHYLAMINEA1UTM0.94
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.85
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.76
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.73
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
N4BN-BUTYLBENZENEA186L0.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.93
PBN4-PHENYLBUTYLAMINEA1UTP0.93
PRA3-PHENYLPROPYLAMINEA1TNK0.93
PRA3-PHENYLPROPYLAMINEM1UTL0.93
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.9
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.9
B2FPHENYLALANINE BORONIC ACIDA,P1P060.9
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.9
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.9
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.82
FBA4-FLUOROBENZYLAMINEA1TNH0.82
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79