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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010237

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
NYLN-ALLYL-ANILINEA1OVK0.9
271N-methyl-1-phenylmethanamineX2RBT0.82
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.77
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.74
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.83
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.78
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.81
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
264(phenylamino)acetonitrileA2RBN0.87
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
PRY2-PROPYL-ANILINEA1OWY0.85
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
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
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.7
URSN-PHENYLTHIOUREAA,B1BUG0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
A8BA1ODC0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.86
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.86
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.79
DPKDEPRENYLA,B2BYB0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
PL01-phenylguanidineA2O8W0.74
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.76
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
IDMINDOLINEA,B3CEP0.92
IDMINDOLINEA1AEK0.92
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
1AN2-FLUOROANILINEA1LGW0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
9AP9-AMINOPHENANTHRENEA1EGY0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.8
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.74
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.7
1MRN-METHYLANILINEX2OTZ0.88
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72
34A3,4-DIMETHYLANILINEA1L4K0.81
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.81
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72