SMILES for Caspase-4

53 SMILES Strings for Caspase-4

Compound Name	SMILES String
BDBM219	CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O \|r\|
BDBM220	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O \|r\|
BDBM221	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O \|r\|
BDBM222	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl \|r\|
BDBM223	OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl \|r\|
BDBM224	OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl \|r\|
BDBM225	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O \|r\|
BDBM226	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl \|r\|
BDBM227	Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl \|r\|
BDBM10298	O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
BDBM10297	CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
BDBM10305	COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 \|r\|
BDBM10309	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
BDBM10315	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 \|r\|
BDBM10316	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 \|r\|
BDBM10318	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 \|r\|
BDBM10323	O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 \|r\|
BDBM85511	OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
BDBM50009859	CC(C)Cc1ccc(cc1)C(C)C(O)=O
BDBM50022271	CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
BDBM160841	CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O \|r\|
BDBM160849	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O \|r\|
BDBM160786	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O \|r\|
BDBM50160957	CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160974	CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50240374	OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
BDBM50233673	CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
BDBM50303420	CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
BDBM50303417	Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
BDBM50302107	COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O \|r\|
BDBM50339185	COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O \|r\|
BDBM50426562	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O \|r,w:41.42\|
BDBM50426563	CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O \|r,w:39.41\|
BDBM50426564	CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O \|r\|
BDBM50426565	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O \|r,w:48.51\|
BDBM50426566	CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C \|r\|
BDBM166683	C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 \|r,c:3,12,t:8\|
BDBM223312	OC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM223313	CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
BDBM50200549	C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1
BDBM50200550	C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1
BDBM50200545	C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1
BDBM50200546	COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1
BDBM50200547	C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200548	C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
BDBM50200551	C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200552	FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F
BDBM50200553	CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200555	[O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
BDBM50200556	[O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200543	COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1
BDBM50200544	O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
BDBM50200554	FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1