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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003370

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
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.89
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.7
BAMBENZAMIDINEU1F5K0.81
BAMBENZAMIDINEX2BY80.81
BAMBENZAMIDINEB2PSM0.81
BAMBENZAMIDINEX2BY90.81
BAMBENZAMIDINEA1C1N0.81
BAMBENZAMIDINEX2BY60.81
BAMBENZAMIDINEH,I1C5O0.81
BAMBENZAMIDINEA1XX40.81
BAMBENZAMIDINEA1HJ80.81
BAMBENZAMIDINEA1C5P0.81
BAMBENZAMIDINEB1C5Z0.81
BAMBENZAMIDINEA,B1ZVW0.81
BAMBENZAMIDINEA2ANW0.81
BAMBENZAMIDINEA2ANY0.81
BAMBENZAMIDINEX2BYA0.81
BAMBENZAMIDINEA1TIO0.81
BAMBENZAMIDINEX2BY50.81
BAMBENZAMIDINEX2BY70.81
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
FPRPROPYLBENZENEC1RHK0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.87
PBN4-PHENYLBUTYLAMINEA1UTP0.87
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.87
PRA3-PHENYLPROPYLAMINEM1UTL0.87
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.82
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV1
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ51
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.89
PEA2-PHENYLETHYLAMINEA1TNJ0.89
PEA2-PHENYLETHYLAMINED,H2HKM0.89
PEA2-PHENYLETHYLAMINEA1UTO0.89
PEA2-PHENYLETHYLAMINEA,B1D6Y0.89
PEA2-PHENYLETHYLAMINEA,B1D6Z0.89
PEA2-PHENYLETHYLAMINEA,B1D6U0.89
PEA2-PHENYLETHYLAMINEA1UTM0.89
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.93
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
2HT3-methylbenzonitrileA,B3F880.73
34A3,4-DIMETHYLANILINEA1L4K0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
CPUA,B1CR60.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.84
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.84
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
I4BISOBUTYLBENZENEA184L0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
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
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.85
ABNBENZYLAMINED,H2HXC0.94
ABNBENZYLAMINEA,I1A860.94
ABNBENZYLAMINEA1UTN0.94
ABNBENZYLAMINEA1N6X0.94
ABNBENZYLAMINEA2BZA0.94
ABNBENZYLAMINEA2EUS0.94
ABNBENZYLAMINEA1N6Y0.94
ABNBENZYLAMINEA1UTJ0.94
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.85
B2FPHENYLALANINE BORONIC ACIDA,P1P060.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.85
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.85
271N-methyl-1-phenylmethanamineX2RBT0.88
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.72
PRY2-PROPYL-ANILINEA1OWY0.76
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
BENBENZAMIDINEA2TIO0.81
BENBENZAMIDINEA1J150.81
BENBENZAMIDINEA,B3BEU0.81
BENBENZAMIDINET1V2U0.81
BENBENZAMIDINEA,B,C,D,E,F3CF80.81
BENBENZAMIDINEA1S0R0.81
BENBENZAMIDINEA,B1V160.81
BENBENZAMIDINEA1CC70.81
BENBENZAMIDINEA3BG80.81
BENBENZAMIDINEA1CC80.81
BENBENZAMIDINEA3PTB0.81
BENBENZAMIDINEA,B1TRM0.81
BENBENZAMIDINEA1ZHR0.81
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.81
BENBENZAMIDINEA2BLV0.81
BENBENZAMIDINEA,B,C,D,E,F2GLP0.81
BENBENZAMIDINEH,I3D490.81
BENBENZAMIDINEH,L,T2AER0.81
BENBENZAMIDINEA1J140.81
BENBENZAMIDINEA1NSA0.81
BENBENZAMIDINEA2AYW0.81
BENBENZAMIDINEA1BRA0.81
BENBENZAMIDINEA,B,C,D1A0J0.81
BENBENZAMIDINEB,C,D2AST0.81
BENBENZAMIDINEA,B2CKR0.81
BENBENZAMIDINEA1LPU0.81
BENBENZAMIDINEA1ZHM0.81
BENBENZAMIDINEA1J8A0.81
BENBENZAMIDINEA,B3BCX0.81
BENBENZAMIDINEA,B,C,D,E,F3CF90.81
BENBENZAMIDINEA,B,C,D,E,F3D040.81
BENBENZAMIDINEA,B,C,D,E,F2GLL0.81
BENBENZAMIDINEA1AND0.81
BENBENZAMIDINEA2TBS0.81
BENBENZAMIDINEA,B,C,D,E,F3DP20.81
BENBENZAMIDINET1V2M0.81
BENBENZAMIDINEA2EEK0.81
BENBENZAMIDINEH,I2ZI20.81
BENBENZAMIDINET1V2J0.81
BENBENZAMIDINEH1KLI0.81
BENBENZAMIDINEA1CE50.81
BENBENZAMIDINEA,B,C,D,E,F3B7J0.81
BENBENZAMIDINEB,Y2PKA0.81
BENBENZAMIDINEA2VJ00.81
BENBENZAMIDINEA3B3J0.81
BENBENZAMIDINEA,B,C,D,E,F3DOY0.81
BENBENZAMIDINEA,B,C,D,E,F3DP30.81
BENBENZAMIDINEA,B,C,D,E,F2GLM0.81
BENBENZAMIDINEA1ANB0.81
BENBENZAMIDINEA1LO60.81
BENBENZAMIDINEA1LR40.81
BENBENZAMIDINEA,B1V1M0.81
BENBENZAMIDINEA1ZHP0.81
BENBENZAMIDINEA2J9N0.81
BENBENZAMIDINEA2BMV0.81
BENBENZAMIDINEA,B2CKS0.81
BENBENZAMIDINEA2BLW0.81
BENBENZAMIDINEA1J160.81
BENBENZAMIDINEA,B1V110.81
BENBENZAMIDINEA,B,C,D,E,F3DP00.81
BENBENZAMIDINEB1RTF0.81
BENBENZAMIDINEA,B,C,D,E,F3DP10.81
BENBENZAMIDINEA,B,C,D2E580.81
BENBENZAMIDINEA2TRM0.81
BENBENZAMIDINET1V2V0.81
BENBENZAMIDINEA1MBQ0.81
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.81
BENBENZAMIDINEA2O8U0.81
BENBENZAMIDINEH1DWB0.81
BENBENZAMIDINEB,C2ASS0.81
BENBENZAMIDINEA1ANE0.81
BENBENZAMIDINEH,I2ZIQ0.81
BENBENZAMIDINEA1BIT0.81
BENBENZAMIDINEA2AIQ0.81
BENBENZAMIDINEA2OQ50.81
BENBENZAMIDINEA1ANC0.81
BENBENZAMIDINEH1JBU0.81
BENBENZAMIDINEA,B2BPQ0.81
BENBENZAMIDINEA,B,C,D2GNN0.81
BENBENZAMIDINET1V2S0.81
BENBENZAMIDINEA1H4W0.81
BENBENZAMIDINEA1OSS0.81
BENBENZAMIDINEA1W800.81
BENBENZAMIDINEA1BTY0.81
BENBENZAMIDINEH,I2ZFQ0.81
BENBENZAMIDINEA1EAX0.81
BENBENZAMIDINEA1L2E0.81
BENBENZAMIDINEA1WRI0.81
BENBENZAMIDINEA,B3BB80.81
BENBENZAMIDINEA2OXS0.81
BENBENZAMIDINEA1DPO0.81
BENBENZAMIDINET1V2L0.81
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.85
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.85
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.81
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
N4BN-BUTYLBENZENEA186L0.73
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.9
FBA4-FLUOROBENZYLAMINEA1TNH0.9
BZZBENZYLHYDRAZINEA,B2E2V0.88
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.84
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.82
DPKDEPRENYLA,B2BYB0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.93
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71