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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052206

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.82
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
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
2HT3-methylbenzonitrileA,B3F880.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.81
34A3,4-DIMETHYLANILINEA1L4K0.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
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
FPRPROPYLBENZENEC1RHK0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.92
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
BZZBENZYLHYDRAZINEA,B2E2V0.84
PRY2-PROPYL-ANILINEA1OWY0.77
BENBENZAMIDINEA2TIO0.77
BENBENZAMIDINEA1J150.77
BENBENZAMIDINEA,B3BEU0.77
BENBENZAMIDINET1V2U0.77
BENBENZAMIDINEA,B,C,D,E,F3CF80.77
BENBENZAMIDINEA1S0R0.77
BENBENZAMIDINEA,B1V160.77
BENBENZAMIDINEA1CC70.77
BENBENZAMIDINEA3BG80.77
BENBENZAMIDINEA1CC80.77
BENBENZAMIDINEA3PTB0.77
BENBENZAMIDINEA,B1TRM0.77
BENBENZAMIDINEA1ZHR0.77
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.77
BENBENZAMIDINEA2BLV0.77
BENBENZAMIDINEA,B,C,D,E,F2GLP0.77
BENBENZAMIDINEH,I3D490.77
BENBENZAMIDINEH,L,T2AER0.77
BENBENZAMIDINEA1J140.77
BENBENZAMIDINEA1NSA0.77
BENBENZAMIDINEA2AYW0.77
BENBENZAMIDINEA1BRA0.77
BENBENZAMIDINEA,B,C,D1A0J0.77
BENBENZAMIDINEB,C,D2AST0.77
BENBENZAMIDINEA,B2CKR0.77
BENBENZAMIDINEA1LPU0.77
BENBENZAMIDINEA1ZHM0.77
BENBENZAMIDINEA1J8A0.77
BENBENZAMIDINEA,B3BCX0.77
BENBENZAMIDINEA,B,C,D,E,F3CF90.77
BENBENZAMIDINEA,B,C,D,E,F3D040.77
BENBENZAMIDINEA,B,C,D,E,F2GLL0.77
BENBENZAMIDINEA1AND0.77
BENBENZAMIDINEA2TBS0.77
BENBENZAMIDINEA,B,C,D,E,F3DP20.77
BENBENZAMIDINET1V2M0.77
BENBENZAMIDINEA2EEK0.77
BENBENZAMIDINEH,I2ZI20.77
BENBENZAMIDINET1V2J0.77
BENBENZAMIDINEH1KLI0.77
BENBENZAMIDINEA1CE50.77
BENBENZAMIDINEA,B,C,D,E,F3B7J0.77
BENBENZAMIDINEB,Y2PKA0.77
BENBENZAMIDINEA2VJ00.77
BENBENZAMIDINEA3B3J0.77
BENBENZAMIDINEA,B,C,D,E,F3DOY0.77
BENBENZAMIDINEA,B,C,D,E,F3DP30.77
BENBENZAMIDINEA,B,C,D,E,F2GLM0.77
BENBENZAMIDINEA1ANB0.77
BENBENZAMIDINEA1LO60.77
BENBENZAMIDINEA1LR40.77
BENBENZAMIDINEA,B1V1M0.77
BENBENZAMIDINEA1ZHP0.77
BENBENZAMIDINEA2J9N0.77
BENBENZAMIDINEA2BMV0.77
BENBENZAMIDINEA,B2CKS0.77
BENBENZAMIDINEA2BLW0.77
BENBENZAMIDINEA1J160.77
BENBENZAMIDINEA,B1V110.77
BENBENZAMIDINEA,B,C,D,E,F3DP00.77
BENBENZAMIDINEB1RTF0.77
BENBENZAMIDINEA,B,C,D,E,F3DP10.77
BENBENZAMIDINEA,B,C,D2E580.77
BENBENZAMIDINEA2TRM0.77
BENBENZAMIDINET1V2V0.77
BENBENZAMIDINEA1MBQ0.77
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.77
BENBENZAMIDINEA2O8U0.77
BENBENZAMIDINEH1DWB0.77
BENBENZAMIDINEB,C2ASS0.77
BENBENZAMIDINEA1ANE0.77
BENBENZAMIDINEH,I2ZIQ0.77
BENBENZAMIDINEA1BIT0.77
BENBENZAMIDINEA2AIQ0.77
BENBENZAMIDINEA2OQ50.77
BENBENZAMIDINEA1ANC0.77
BENBENZAMIDINEH1JBU0.77
BENBENZAMIDINEA,B2BPQ0.77
BENBENZAMIDINEA,B,C,D2GNN0.77
BENBENZAMIDINET1V2S0.77
BENBENZAMIDINEA1H4W0.77
BENBENZAMIDINEA1OSS0.77
BENBENZAMIDINEA1W800.77
BENBENZAMIDINEA1BTY0.77
BENBENZAMIDINEH,I2ZFQ0.77
BENBENZAMIDINEA1EAX0.77
BENBENZAMIDINEA1L2E0.77
BENBENZAMIDINEA1WRI0.77
BENBENZAMIDINEA,B3BB80.77
BENBENZAMIDINEA2OXS0.77
BENBENZAMIDINEA1DPO0.77
BENBENZAMIDINET1V2L0.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.86
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
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.84
B2FPHENYLALANINE BORONIC ACIDA,P1P060.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.84
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.89
FBA4-FLUOROBENZYLAMINEA1TNH0.89
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
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
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.96
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.96
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
I4BISOBUTYLBENZENEA184L0.75
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,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.85
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.85
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.86
PRA3-PHENYLPROPYLAMINEM1UTL0.86
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.86
PBN4-PHENYLBUTYLAMINEA1UTP0.86
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
N4BN-BUTYLBENZENEA186L0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
BAMBENZAMIDINEU1F5K0.77
BAMBENZAMIDINEX2BY80.77
BAMBENZAMIDINEB2PSM0.77
BAMBENZAMIDINEX2BY90.77
BAMBENZAMIDINEA1C1N0.77
BAMBENZAMIDINEX2BY60.77
BAMBENZAMIDINEH,I1C5O0.77
BAMBENZAMIDINEA1XX40.77
BAMBENZAMIDINEA1HJ80.77
BAMBENZAMIDINEA1C5P0.77
BAMBENZAMIDINEB1C5Z0.77
BAMBENZAMIDINEA,B1ZVW0.77
BAMBENZAMIDINEA2ANW0.77
BAMBENZAMIDINEA2ANY0.77
BAMBENZAMIDINEX2BYA0.77
BAMBENZAMIDINEA1TIO0.77
BAMBENZAMIDINEX2BY50.77
BAMBENZAMIDINEX2BY70.77
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
ABNBENZYLAMINED,H2HXC0.93
ABNBENZYLAMINEA,I1A860.93
ABNBENZYLAMINEA1UTN0.93
ABNBENZYLAMINEA1N6X0.93
ABNBENZYLAMINEA2BZA0.93
ABNBENZYLAMINEA2EUS0.93
ABNBENZYLAMINEA1N6Y0.93
ABNBENZYLAMINEA1UTJ0.93
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
271N-methyl-1-phenylmethanamineX2RBT0.89
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.88
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.86
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.86
DPKDEPRENYLA,B2BYB0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.92
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
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
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.87
PEA2-PHENYLETHYLAMINEA1TNJ0.87
PEA2-PHENYLETHYLAMINED,H2HKM0.87
PEA2-PHENYLETHYLAMINEA1UTO0.87
PEA2-PHENYLETHYLAMINEA,B1D6Y0.87
PEA2-PHENYLETHYLAMINEA,B1D6Z0.87
PEA2-PHENYLETHYLAMINEA,B1D6U0.87
PEA2-PHENYLETHYLAMINEA1UTM0.87
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.83
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77