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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03542060

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
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
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.85
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.84
PEA2-PHENYLETHYLAMINEA1TNJ0.84
PEA2-PHENYLETHYLAMINED,H2HKM0.84
PEA2-PHENYLETHYLAMINEA1UTO0.84
PEA2-PHENYLETHYLAMINEA,B1D6Y0.84
PEA2-PHENYLETHYLAMINEA,B1D6Z0.84
PEA2-PHENYLETHYLAMINEA,B1D6U0.84
PEA2-PHENYLETHYLAMINEA1UTM0.84
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
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
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.83
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.83
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
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
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
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
271N-methyl-1-phenylmethanamineX2RBT0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
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
I4BISOBUTYLBENZENEA184L0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
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
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
BZZBENZYLHYDRAZINEA,B2E2V0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.84
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.84
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
N4BN-BUTYLBENZENEA186L0.74
DPKDEPRENYLA,B2BYB0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.81
FBA4-FLUOROBENZYLAMINEA1TNH0.81
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.74
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
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.81
B2FPHENYLALANINE BORONIC ACIDA,P1P060.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.81
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.81
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
34A3,4-DIMETHYLANILINEA1L4K0.8
9AP9-AMINOPHENANTHRENEA1EGY0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.83
PRY2-PROPYL-ANILINEA1OWY0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.82
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.82
DENINDENEA183L0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
BDBA,B1KE30.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.74
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72