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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283503

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
NYLN-ALLYL-ANILINEA1OVK0.8
PRY2-PROPYL-ANILINEA1OWY0.86
CPUA,B1CR60.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
1AN2-FLUOROANILINEA1LGW0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
264(phenylamino)acetonitrileA2RBN0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.8
IDMINDOLINEA,B3CEP0.83
IDMINDOLINEA1AEK0.83
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
A8BA1ODC0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
5AN3,5-DIFLUOROANILINEA1LGX0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.73
34A3,4-DIMETHYLANILINEA1L4K0.86
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
9AP9-AMINOPHENANTHRENEA1EGY0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
271N-methyl-1-phenylmethanamineX2RBT0.81
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.82
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.82
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
URSN-PHENYLTHIOUREAA,B1BUG0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.88
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
1MRN-METHYLANILINEX2OTZ0.8
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
BZZBENZYLHYDRAZINEA,B2E2V0.71
DPKDEPRENYLA,B2BYB0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.81
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.76
PL01-phenylguanidineA2O8W0.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.88
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71